USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -6.57! C(o=-35!,f=-46!) USER MOD Set 1.2: A 62 HIS :FLIP no HE2:sc= -8.89! C(o=-38!,f=-35!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -20! C(o=-36!,f=-35!) USER MOD Set 1.4: A 109 TYR OH : rot -178:sc= 0.446 USER MOD Set 2.1: A 83 GLN :FLIP amide:sc= -0.729 F(o=-0.47,f=0.28) USER MOD Set 2.2: A 87 TYR OH : rot 111:sc= 1.01 USER MOD Set 3.1: A 44 CYS SG : rot 16:sc= -4.49! USER MOD Set 3.2: A 69 SER OG : rot -150:sc= -1.96! USER MOD Set 4.1: A 53 THR OG1 : rot -177:sc= -0.528 USER MOD Set 4.2: A 58 SER OG : rot 42:sc= -0.469 USER MOD Set 5.1: A 26 MET CE :methyl -140:sc= -8.12! (180deg=-11.9!) USER MOD Set 5.2: A 70 SER OG : rot 143:sc= 1.16 USER MOD Single : A 1 VAL N :NH3+ -161:sc= -1.77! (180deg=-2.63!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 166:sc= -1.69! USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.672) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.735 USER MOD Single : A 15 THR OG1 : rot -160:sc= -3.81! USER MOD Single : A 19 GLN : amide:sc= -0.089 K(o=-0.089,f=-0.88) USER MOD Single : A 25 ASN : amide:sc= -14.1! C(o=-14!,f=-18!) USER MOD Single : A 28 MET CE :methyl 130:sc= -9.95! (180deg=-11.8!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 33:sc= 0.484 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.74! C(o=-2.7!,f=-11!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -15:sc= -0.288 USER MOD Single : A 49 SER OG : rot 180:sc= -1.69! USER MOD Single : A 50 THR OG1 : rot -98:sc= 0.543! USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.147 (180deg=-0.89) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -3.65! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -6.88! C(o=-8.7!,f=-6.9!) USER MOD Single : A 71 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.67) USER MOD Single : A 74 GLN : amide:sc= -0.128 K(o=-0.13,f=-4.8!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= -4.08! USER MOD Single : A 82 THR OG1 : rot 79:sc= 0.265 USER MOD Single : A 84 MET CE :methyl 136:sc= -15.4! (180deg=-21.2!) USER MOD Single : A 90 SER OG : rot -72:sc= 0.946 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 99 GLN : amide:sc= -0.0718 X(o=-0.072,f=-0.47) USER MOD Single : A 101 HIS :FLIP no HD1:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= -1! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot -38:sc= -1.89! USER MOD Single : A 117 LYS NZ :NH3+ 154:sc= -1.32 (180deg=-2.47!) USER MOD Single : A 118 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.7!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -147:sc= -0.104 (180deg=-1.49) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.991 -17.247 -27.427 1.00 0.00 N ATOM 2 CA VAL A 1 13.460 -17.295 -27.176 1.00 0.00 C ATOM 3 C VAL A 1 13.953 -15.902 -26.776 1.00 0.00 C ATOM 4 O VAL A 1 13.237 -15.132 -26.167 1.00 0.00 O ATOM 5 CB VAL A 1 14.185 -17.748 -28.447 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.472 -18.481 -28.066 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.282 -18.693 -29.244 1.00 0.00 C ATOM 0 H1 VAL A 1 11.599 -18.209 -27.380 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.535 -16.652 -26.706 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.813 -16.846 -28.370 1.00 0.00 H new ATOM 0 HA VAL A 1 13.667 -18.001 -26.372 1.00 0.00 H new ATOM 0 HB VAL A 1 14.426 -16.876 -29.055 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.988 -18.804 -28.970 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.118 -17.811 -27.499 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.228 -19.352 -27.457 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.799 -19.014 -30.148 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.040 -19.564 -28.635 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.363 -18.174 -29.517 1.00 0.00 H new ATOM 19 N GLU A 2 15.170 -15.572 -27.112 1.00 0.00 N ATOM 20 CA GLU A 2 15.705 -14.229 -26.750 1.00 0.00 C ATOM 21 C GLU A 2 14.650 -13.162 -27.049 1.00 0.00 C ATOM 22 O GLU A 2 14.139 -13.070 -28.147 1.00 0.00 O ATOM 23 CB GLU A 2 16.965 -13.944 -27.570 1.00 0.00 C ATOM 24 CG GLU A 2 16.626 -14.000 -29.061 1.00 0.00 C ATOM 25 CD GLU A 2 17.655 -14.868 -29.787 1.00 0.00 C ATOM 26 OE1 GLU A 2 18.261 -15.703 -29.136 1.00 0.00 O ATOM 27 OE2 GLU A 2 17.820 -14.683 -30.982 1.00 0.00 O ATOM 0 H GLU A 2 15.817 -16.174 -27.621 1.00 0.00 H new ATOM 0 HA GLU A 2 15.950 -14.210 -25.688 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.365 -12.963 -27.314 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.738 -14.675 -27.334 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.626 -14.409 -29.202 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.621 -12.994 -29.482 1.00 0.00 H new ATOM 34 N LEU A 3 14.321 -12.353 -26.078 1.00 0.00 N ATOM 35 CA LEU A 3 13.300 -11.291 -26.308 1.00 0.00 C ATOM 36 C LEU A 3 13.973 -10.054 -26.911 1.00 0.00 C ATOM 37 O LEU A 3 13.418 -8.979 -26.926 1.00 0.00 O ATOM 38 CB LEU A 3 12.628 -10.927 -24.975 1.00 0.00 C ATOM 39 CG LEU A 3 13.470 -9.897 -24.214 1.00 0.00 C ATOM 40 CD1 LEU A 3 12.874 -9.680 -22.826 1.00 0.00 C ATOM 41 CD2 LEU A 3 14.905 -10.407 -24.078 1.00 0.00 C ATOM 0 H LEU A 3 14.714 -12.382 -25.137 1.00 0.00 H new ATOM 0 HA LEU A 3 12.543 -11.657 -27.001 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.632 -10.525 -25.161 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.502 -11.823 -24.367 1.00 0.00 H new ATOM 0 HG LEU A 3 13.472 -8.955 -24.762 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.472 -8.948 -22.284 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.852 -9.314 -22.922 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.872 -10.623 -22.279 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.502 -9.673 -23.537 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.906 -11.350 -23.531 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.332 -10.562 -25.069 1.00 0.00 H new ATOM 53 N SER A 4 15.170 -10.187 -27.391 1.00 0.00 N ATOM 54 CA SER A 4 15.859 -9.007 -27.980 1.00 0.00 C ATOM 55 C SER A 4 15.598 -8.950 -29.489 1.00 0.00 C ATOM 56 O SER A 4 15.394 -9.962 -30.129 1.00 0.00 O ATOM 57 CB SER A 4 17.363 -9.111 -27.724 1.00 0.00 C ATOM 58 OG SER A 4 17.964 -9.876 -28.761 1.00 0.00 O ATOM 0 H SER A 4 15.703 -11.057 -27.403 1.00 0.00 H new ATOM 0 HA SER A 4 15.473 -8.099 -27.516 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.807 -8.116 -27.686 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.548 -9.579 -26.757 1.00 0.00 H new ATOM 0 HG SER A 4 18.928 -9.943 -28.601 1.00 0.00 H new ATOM 64 N LYS A 5 15.624 -7.773 -30.059 1.00 0.00 N ATOM 65 CA LYS A 5 15.402 -7.635 -31.531 1.00 0.00 C ATOM 66 C LYS A 5 13.906 -7.681 -31.861 1.00 0.00 C ATOM 67 O LYS A 5 13.323 -6.695 -32.267 1.00 0.00 O ATOM 68 CB LYS A 5 16.119 -8.771 -32.265 1.00 0.00 C ATOM 69 CG LYS A 5 16.556 -8.289 -33.649 1.00 0.00 C ATOM 70 CD LYS A 5 17.889 -7.546 -33.534 1.00 0.00 C ATOM 71 CE LYS A 5 18.713 -7.775 -34.803 1.00 0.00 C ATOM 72 NZ LYS A 5 20.020 -8.392 -34.442 1.00 0.00 N ATOM 0 H LYS A 5 15.790 -6.896 -29.566 1.00 0.00 H new ATOM 0 HA LYS A 5 15.802 -6.673 -31.853 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.986 -9.098 -31.692 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.457 -9.632 -32.360 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.658 -9.137 -34.326 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.797 -7.632 -34.073 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.712 -6.480 -33.390 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.440 -7.898 -32.662 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.170 -8.424 -35.490 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.876 -6.829 -35.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.580 -8.548 -35.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.539 -7.757 -33.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.855 -9.302 -33.967 1.00 0.00 H new ATOM 86 N LYS A 6 13.283 -8.818 -31.713 1.00 0.00 N ATOM 87 CA LYS A 6 11.832 -8.923 -32.043 1.00 0.00 C ATOM 88 C LYS A 6 10.975 -8.414 -30.880 1.00 0.00 C ATOM 89 O LYS A 6 9.790 -8.676 -30.818 1.00 0.00 O ATOM 90 CB LYS A 6 11.482 -10.387 -32.323 1.00 0.00 C ATOM 91 CG LYS A 6 10.146 -10.461 -33.063 1.00 0.00 C ATOM 92 CD LYS A 6 9.355 -11.673 -32.566 1.00 0.00 C ATOM 93 CE LYS A 6 10.231 -12.924 -32.650 1.00 0.00 C ATOM 94 NZ LYS A 6 9.495 -14.085 -32.074 1.00 0.00 N ATOM 0 H LYS A 6 13.715 -9.679 -31.378 1.00 0.00 H new ATOM 0 HA LYS A 6 11.628 -8.313 -32.923 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.267 -10.851 -32.920 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.423 -10.943 -31.387 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.575 -9.548 -32.897 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.316 -10.540 -34.137 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.030 -11.512 -31.538 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.456 -11.805 -33.167 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.496 -13.126 -33.688 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.163 -12.765 -32.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.090 -14.936 -32.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.263 -13.890 -31.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.617 -14.240 -32.610 1.00 0.00 H new ATOM 108 N VAL A 7 11.550 -7.688 -29.961 1.00 0.00 N ATOM 109 CA VAL A 7 10.745 -7.174 -28.817 1.00 0.00 C ATOM 110 C VAL A 7 11.446 -5.967 -28.190 1.00 0.00 C ATOM 111 O VAL A 7 10.901 -4.882 -28.131 1.00 0.00 O ATOM 112 CB VAL A 7 10.597 -8.273 -27.766 1.00 0.00 C ATOM 113 CG1 VAL A 7 9.725 -7.772 -26.617 1.00 0.00 C ATOM 114 CG2 VAL A 7 9.959 -9.511 -28.397 1.00 0.00 C ATOM 0 H VAL A 7 12.537 -7.430 -29.952 1.00 0.00 H new ATOM 0 HA VAL A 7 9.761 -6.873 -29.177 1.00 0.00 H new ATOM 0 HB VAL A 7 11.582 -8.536 -27.381 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.621 -8.558 -25.869 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.190 -6.897 -26.162 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.740 -7.502 -26.998 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.856 -10.291 -27.643 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.975 -9.253 -28.790 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.590 -9.872 -29.209 1.00 0.00 H new ATOM 124 N THR A 8 12.648 -6.148 -27.712 1.00 0.00 N ATOM 125 CA THR A 8 13.379 -5.011 -27.082 1.00 0.00 C ATOM 126 C THR A 8 13.570 -3.888 -28.103 1.00 0.00 C ATOM 127 O THR A 8 13.921 -2.777 -27.759 1.00 0.00 O ATOM 128 CB THR A 8 14.744 -5.489 -26.586 1.00 0.00 C ATOM 129 OG1 THR A 8 15.484 -6.018 -27.677 1.00 0.00 O ATOM 130 CG2 THR A 8 14.551 -6.571 -25.523 1.00 0.00 C ATOM 0 H THR A 8 13.155 -7.033 -27.731 1.00 0.00 H new ATOM 0 HA THR A 8 12.798 -4.636 -26.239 1.00 0.00 H new ATOM 0 HB THR A 8 15.288 -4.650 -26.152 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.423 -6.119 -27.417 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.524 -6.912 -25.170 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.984 -6.162 -24.687 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.007 -7.412 -25.954 1.00 0.00 H new ATOM 138 N GLY A 9 13.342 -4.165 -29.358 1.00 0.00 N ATOM 139 CA GLY A 9 13.510 -3.108 -30.394 1.00 0.00 C ATOM 140 C GLY A 9 12.720 -1.863 -29.985 1.00 0.00 C ATOM 141 O GLY A 9 12.978 -0.771 -30.453 1.00 0.00 O ATOM 0 H GLY A 9 13.047 -5.076 -29.710 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.565 -2.861 -30.509 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.161 -3.472 -31.360 1.00 0.00 H new ATOM 145 N LYS A 10 11.756 -2.018 -29.117 1.00 0.00 N ATOM 146 CA LYS A 10 10.951 -0.842 -28.681 1.00 0.00 C ATOM 147 C LYS A 10 10.048 -1.238 -27.510 1.00 0.00 C ATOM 148 O LYS A 10 9.772 -0.442 -26.633 1.00 0.00 O ATOM 149 CB LYS A 10 10.087 -0.357 -29.847 1.00 0.00 C ATOM 150 CG LYS A 10 9.219 -1.511 -30.352 1.00 0.00 C ATOM 151 CD LYS A 10 9.122 -1.449 -31.878 1.00 0.00 C ATOM 152 CE LYS A 10 7.803 -2.077 -32.334 1.00 0.00 C ATOM 153 NZ LYS A 10 7.587 -3.360 -31.605 1.00 0.00 N ATOM 0 H LYS A 10 11.492 -2.907 -28.692 1.00 0.00 H new ATOM 0 HA LYS A 10 11.622 -0.044 -28.365 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.457 0.473 -29.526 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.720 0.016 -30.652 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.648 -2.464 -30.043 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.224 -1.451 -29.911 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.179 -0.414 -32.214 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.963 -1.977 -32.328 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.976 -1.393 -32.142 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.825 -2.256 -33.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.971 -3.980 -32.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.502 -3.829 -31.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.137 -3.166 -30.687 1.00 0.00 H new ATOM 167 N LEU A 11 9.574 -2.459 -27.497 1.00 0.00 N ATOM 168 CA LEU A 11 8.679 -2.921 -26.392 1.00 0.00 C ATOM 169 C LEU A 11 7.317 -2.219 -26.488 1.00 0.00 C ATOM 170 O LEU A 11 6.431 -2.467 -25.696 1.00 0.00 O ATOM 171 CB LEU A 11 9.324 -2.611 -25.035 1.00 0.00 C ATOM 172 CG LEU A 11 10.041 -3.857 -24.514 1.00 0.00 C ATOM 173 CD1 LEU A 11 11.553 -3.629 -24.557 1.00 0.00 C ATOM 174 CD2 LEU A 11 9.613 -4.128 -23.071 1.00 0.00 C ATOM 0 H LEU A 11 9.771 -3.161 -28.211 1.00 0.00 H new ATOM 0 HA LEU A 11 8.532 -3.997 -26.484 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.031 -1.787 -25.136 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.563 -2.292 -24.323 1.00 0.00 H new ATOM 0 HG LEU A 11 9.781 -4.712 -25.138 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.065 -4.517 -24.186 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.863 -3.434 -25.584 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.810 -2.774 -23.932 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.125 -5.016 -22.700 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.873 -3.273 -22.448 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.535 -4.288 -23.035 1.00 0.00 H new ATOM 186 N ASP A 12 7.136 -1.358 -27.458 1.00 0.00 N ATOM 187 CA ASP A 12 5.830 -0.653 -27.608 1.00 0.00 C ATOM 188 C ASP A 12 5.506 0.138 -26.335 1.00 0.00 C ATOM 189 O ASP A 12 5.650 -0.350 -25.233 1.00 0.00 O ATOM 190 CB ASP A 12 4.725 -1.683 -27.858 1.00 0.00 C ATOM 191 CG ASP A 12 4.601 -1.944 -29.360 1.00 0.00 C ATOM 192 OD1 ASP A 12 5.309 -1.298 -30.114 1.00 0.00 O ATOM 193 OD2 ASP A 12 3.799 -2.786 -29.731 1.00 0.00 O ATOM 0 H ASP A 12 7.840 -1.113 -28.154 1.00 0.00 H new ATOM 0 HA ASP A 12 5.893 0.037 -28.449 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.953 -2.611 -27.334 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.777 -1.319 -27.462 1.00 0.00 H new ATOM 198 N LYS A 13 5.053 1.355 -26.479 1.00 0.00 N ATOM 199 CA LYS A 13 4.706 2.162 -25.274 1.00 0.00 C ATOM 200 C LYS A 13 3.673 1.390 -24.451 1.00 0.00 C ATOM 201 O LYS A 13 3.488 1.635 -23.276 1.00 0.00 O ATOM 202 CB LYS A 13 4.124 3.508 -25.709 1.00 0.00 C ATOM 203 CG LYS A 13 5.177 4.285 -26.503 1.00 0.00 C ATOM 204 CD LYS A 13 6.292 4.748 -25.560 1.00 0.00 C ATOM 205 CE LYS A 13 7.357 3.655 -25.447 1.00 0.00 C ATOM 206 NZ LYS A 13 8.579 4.075 -26.190 1.00 0.00 N ATOM 0 H LYS A 13 4.909 1.823 -27.374 1.00 0.00 H new ATOM 0 HA LYS A 13 5.598 2.342 -24.673 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.235 3.352 -26.319 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.814 4.082 -24.836 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.591 3.656 -27.291 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.718 5.145 -26.990 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.740 5.668 -25.935 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.880 4.971 -24.576 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.599 3.475 -24.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.976 2.718 -25.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.304 3.333 -26.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.342 4.226 -27.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.945 4.960 -25.784 1.00 0.00 H new ATOM 220 N THR A 14 3.013 0.448 -25.073 1.00 0.00 N ATOM 221 CA THR A 14 1.994 -0.389 -24.369 1.00 0.00 C ATOM 222 C THR A 14 1.066 0.456 -23.495 1.00 0.00 C ATOM 223 O THR A 14 0.406 -0.064 -22.618 1.00 0.00 O ATOM 224 CB THR A 14 2.709 -1.417 -23.489 1.00 0.00 C ATOM 225 OG1 THR A 14 1.765 -2.361 -23.004 1.00 0.00 O ATOM 226 CG2 THR A 14 3.376 -0.706 -22.309 1.00 0.00 C ATOM 0 H THR A 14 3.140 0.219 -26.059 1.00 0.00 H new ATOM 0 HA THR A 14 1.386 -0.883 -25.127 1.00 0.00 H new ATOM 0 HB THR A 14 3.469 -1.932 -24.076 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.954 -1.893 -22.713 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.885 -1.439 -21.683 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.101 0.018 -22.683 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.618 -0.189 -21.720 1.00 0.00 H new ATOM 234 N THR A 15 0.987 1.734 -23.725 1.00 0.00 N ATOM 235 CA THR A 15 0.078 2.574 -22.892 1.00 0.00 C ATOM 236 C THR A 15 0.312 2.228 -21.406 1.00 0.00 C ATOM 237 O THR A 15 1.180 1.436 -21.095 1.00 0.00 O ATOM 238 CB THR A 15 -1.373 2.296 -23.341 1.00 0.00 C ATOM 239 OG1 THR A 15 -2.112 3.509 -23.341 1.00 0.00 O ATOM 240 CG2 THR A 15 -2.062 1.265 -22.433 1.00 0.00 C ATOM 0 H THR A 15 1.507 2.233 -24.447 1.00 0.00 H new ATOM 0 HA THR A 15 0.275 3.639 -23.017 1.00 0.00 H new ATOM 0 HB THR A 15 -1.340 1.881 -24.348 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.071 3.308 -23.310 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.081 1.097 -22.782 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.508 0.326 -22.463 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.086 1.640 -21.410 1.00 0.00 H new ATOM 248 N PRO A 16 -0.446 2.833 -20.525 1.00 0.00 N ATOM 249 CA PRO A 16 -0.308 2.587 -19.080 1.00 0.00 C ATOM 250 C PRO A 16 -1.024 1.287 -18.690 1.00 0.00 C ATOM 251 O PRO A 16 -2.192 1.287 -18.356 1.00 0.00 O ATOM 252 CB PRO A 16 -0.984 3.805 -18.444 1.00 0.00 C ATOM 253 CG PRO A 16 -1.947 4.379 -19.511 1.00 0.00 C ATOM 254 CD PRO A 16 -1.499 3.808 -20.870 1.00 0.00 C ATOM 0 HA PRO A 16 0.726 2.468 -18.758 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.528 3.521 -17.543 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.244 4.549 -18.148 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.977 4.096 -19.294 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.910 5.468 -19.519 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.327 3.331 -21.394 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.117 4.591 -21.525 1.00 0.00 H new ATOM 262 N GLY A 17 -0.329 0.179 -18.729 1.00 0.00 N ATOM 263 CA GLY A 17 -0.964 -1.119 -18.361 1.00 0.00 C ATOM 264 C GLY A 17 0.137 -2.149 -18.116 1.00 0.00 C ATOM 265 O GLY A 17 0.987 -1.961 -17.271 1.00 0.00 O ATOM 0 H GLY A 17 0.652 0.119 -19.000 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.576 -1.000 -17.467 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.626 -1.456 -19.159 1.00 0.00 H new ATOM 269 N ILE A 18 0.141 -3.228 -18.850 1.00 0.00 N ATOM 270 CA ILE A 18 1.208 -4.251 -18.656 1.00 0.00 C ATOM 271 C ILE A 18 1.310 -5.148 -19.888 1.00 0.00 C ATOM 272 O ILE A 18 0.782 -4.855 -20.943 1.00 0.00 O ATOM 273 CB ILE A 18 0.892 -5.134 -17.444 1.00 0.00 C ATOM 274 CG1 ILE A 18 -0.299 -6.038 -17.773 1.00 0.00 C ATOM 275 CG2 ILE A 18 0.557 -4.269 -16.231 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.604 -6.942 -16.577 1.00 0.00 C ATOM 0 H ILE A 18 -0.545 -3.445 -19.573 1.00 0.00 H new ATOM 0 HA ILE A 18 2.149 -3.726 -18.495 1.00 0.00 H new ATOM 0 HB ILE A 18 1.765 -5.743 -17.211 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.172 -5.432 -18.016 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.077 -6.643 -18.652 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.335 -4.910 -15.378 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.408 -3.630 -15.993 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.311 -3.649 -16.455 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.452 -7.585 -16.814 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.267 -7.558 -16.355 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.845 -6.328 -15.709 1.00 0.00 H new ATOM 288 N GLN A 19 1.985 -6.247 -19.735 1.00 0.00 N ATOM 289 CA GLN A 19 2.151 -7.218 -20.850 1.00 0.00 C ATOM 290 C GLN A 19 2.785 -8.477 -20.266 1.00 0.00 C ATOM 291 O GLN A 19 3.168 -8.495 -19.116 1.00 0.00 O ATOM 292 CB GLN A 19 3.069 -6.624 -21.922 1.00 0.00 C ATOM 293 CG GLN A 19 2.222 -6.061 -23.064 1.00 0.00 C ATOM 294 CD GLN A 19 3.100 -5.860 -24.302 1.00 0.00 C ATOM 295 OE1 GLN A 19 2.685 -6.143 -25.408 1.00 0.00 O ATOM 296 NE2 GLN A 19 4.305 -5.379 -24.160 1.00 0.00 N ATOM 0 H GLN A 19 2.440 -6.521 -18.864 1.00 0.00 H new ATOM 0 HA GLN A 19 1.190 -7.447 -21.310 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.687 -5.836 -21.491 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.746 -7.389 -22.301 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.403 -6.743 -23.293 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.774 -5.113 -22.765 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.653 -5.141 -23.231 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.899 -5.241 -24.978 1.00 0.00 H new ATOM 305 N ILE A 20 2.907 -9.532 -21.017 1.00 0.00 N ATOM 306 CA ILE A 20 3.529 -10.752 -20.433 1.00 0.00 C ATOM 307 C ILE A 20 4.329 -11.497 -21.492 1.00 0.00 C ATOM 308 O ILE A 20 4.215 -11.234 -22.662 1.00 0.00 O ATOM 309 CB ILE A 20 2.447 -11.691 -19.894 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.483 -10.906 -19.003 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.107 -12.799 -19.076 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.474 -11.871 -18.378 1.00 0.00 C ATOM 0 H ILE A 20 2.610 -9.605 -21.990 1.00 0.00 H new ATOM 0 HA ILE A 20 4.188 -10.440 -19.623 1.00 0.00 H new ATOM 0 HB ILE A 20 1.894 -12.127 -20.726 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.035 -10.383 -18.222 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.964 -10.148 -19.589 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.341 -13.471 -18.689 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.795 -13.359 -19.710 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.657 -12.359 -18.244 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.215 -11.315 -17.742 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.085 -12.374 -19.167 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.003 -12.613 -17.779 1.00 0.00 H new ATOM 324 N TRP A 21 5.120 -12.448 -21.082 1.00 0.00 N ATOM 325 CA TRP A 21 5.904 -13.248 -22.063 1.00 0.00 C ATOM 326 C TRP A 21 5.759 -14.717 -21.682 1.00 0.00 C ATOM 327 O TRP A 21 6.114 -15.123 -20.592 1.00 0.00 O ATOM 328 CB TRP A 21 7.374 -12.847 -22.026 1.00 0.00 C ATOM 329 CG TRP A 21 7.585 -11.680 -22.932 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.957 -11.749 -24.234 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.432 -10.269 -22.622 1.00 0.00 C ATOM 332 NE1 TRP A 21 8.046 -10.460 -24.737 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.732 -9.513 -23.778 1.00 0.00 C ATOM 334 CE3 TRP A 21 7.068 -9.583 -21.453 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.670 -8.116 -23.772 1.00 0.00 C ATOM 336 CZ3 TRP A 21 7.003 -8.183 -21.442 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.304 -7.450 -22.598 1.00 0.00 C ATOM 0 H TRP A 21 5.258 -12.707 -20.105 1.00 0.00 H new ATOM 0 HA TRP A 21 5.533 -13.071 -23.073 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.668 -12.591 -21.008 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.000 -13.683 -22.338 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.151 -12.656 -24.787 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.311 -10.237 -25.697 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.836 -10.138 -20.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.903 -7.556 -24.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.719 -7.666 -20.537 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.253 -6.371 -22.582 1.00 0.00 H new ATOM 348 N ARG A 22 5.210 -15.514 -22.553 1.00 0.00 N ATOM 349 CA ARG A 22 5.010 -16.949 -22.215 1.00 0.00 C ATOM 350 C ARG A 22 6.313 -17.734 -22.373 1.00 0.00 C ATOM 351 O ARG A 22 6.886 -17.811 -23.442 1.00 0.00 O ATOM 352 CB ARG A 22 3.953 -17.550 -23.143 1.00 0.00 C ATOM 353 CG ARG A 22 2.666 -16.729 -23.056 1.00 0.00 C ATOM 354 CD ARG A 22 1.457 -17.655 -23.205 1.00 0.00 C ATOM 355 NE ARG A 22 1.306 -18.046 -24.635 1.00 0.00 N ATOM 356 CZ ARG A 22 0.134 -18.390 -25.096 1.00 0.00 C ATOM 357 NH1 ARG A 22 -0.828 -18.694 -24.267 1.00 0.00 N ATOM 358 NH2 ARG A 22 -0.076 -18.430 -26.382 1.00 0.00 N ATOM 0 H ARG A 22 4.892 -15.236 -23.481 1.00 0.00 H new ATOM 0 HA ARG A 22 4.683 -17.014 -21.177 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.320 -17.561 -24.169 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.756 -18.585 -22.864 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.620 -16.205 -22.101 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.654 -15.969 -23.837 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.586 -18.543 -22.586 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.555 -17.152 -22.857 1.00 0.00 H new ATOM 0 HE ARG A 22 2.117 -18.045 -25.253 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.663 -18.662 -23.261 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.744 -18.963 -24.626 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.676 -18.192 -27.029 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.992 -18.699 -26.741 1.00 0.00 H new ATOM 372 N ILE A 23 6.756 -18.346 -21.311 1.00 0.00 N ATOM 373 CA ILE A 23 7.992 -19.171 -21.367 1.00 0.00 C ATOM 374 C ILE A 23 7.539 -20.640 -21.425 1.00 0.00 C ATOM 375 O ILE A 23 8.218 -21.559 -21.016 1.00 0.00 O ATOM 376 CB ILE A 23 8.848 -18.855 -20.119 1.00 0.00 C ATOM 377 CG1 ILE A 23 9.883 -17.789 -20.489 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.582 -20.095 -19.604 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.599 -16.502 -19.712 1.00 0.00 C ATOM 0 H ILE A 23 6.308 -18.308 -20.396 1.00 0.00 H new ATOM 0 HA ILE A 23 8.610 -18.959 -22.239 1.00 0.00 H new ATOM 0 HB ILE A 23 8.182 -18.503 -19.331 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.887 -18.148 -20.262 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.850 -17.593 -21.561 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.172 -19.830 -18.727 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.856 -20.862 -19.335 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.242 -20.477 -20.383 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.338 -15.746 -19.978 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.602 -16.139 -19.961 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.655 -16.703 -18.642 1.00 0.00 H new ATOM 391 N GLU A 24 6.366 -20.847 -21.960 1.00 0.00 N ATOM 392 CA GLU A 24 5.806 -22.222 -22.083 1.00 0.00 C ATOM 393 C GLU A 24 6.754 -23.083 -22.907 1.00 0.00 C ATOM 394 O GLU A 24 7.784 -22.624 -23.353 1.00 0.00 O ATOM 395 CB GLU A 24 4.441 -22.153 -22.772 1.00 0.00 C ATOM 396 CG GLU A 24 4.517 -21.188 -23.958 1.00 0.00 C ATOM 397 CD GLU A 24 3.545 -21.641 -25.049 1.00 0.00 C ATOM 398 OE1 GLU A 24 2.370 -21.772 -24.750 1.00 0.00 O ATOM 399 OE2 GLU A 24 3.994 -21.849 -26.164 1.00 0.00 O ATOM 0 H GLU A 24 5.763 -20.108 -22.323 1.00 0.00 H new ATOM 0 HA GLU A 24 5.690 -22.661 -21.092 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.144 -23.144 -23.114 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.681 -21.819 -22.065 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.271 -20.177 -23.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.533 -21.158 -24.351 1.00 0.00 H new ATOM 406 N ASN A 25 6.422 -24.334 -23.100 1.00 0.00 N ATOM 407 CA ASN A 25 7.319 -25.233 -23.882 1.00 0.00 C ATOM 408 C ASN A 25 8.764 -24.966 -23.465 1.00 0.00 C ATOM 409 O ASN A 25 9.692 -25.161 -24.226 1.00 0.00 O ATOM 410 CB ASN A 25 7.150 -24.970 -25.383 1.00 0.00 C ATOM 411 CG ASN A 25 7.616 -23.552 -25.721 1.00 0.00 C ATOM 412 OD1 ASN A 25 8.761 -23.343 -26.066 1.00 0.00 O ATOM 413 ND2 ASN A 25 6.769 -22.563 -25.635 1.00 0.00 N ATOM 0 H ASN A 25 5.569 -24.770 -22.750 1.00 0.00 H new ATOM 0 HA ASN A 25 7.062 -26.273 -23.683 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.726 -25.697 -25.955 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.105 -25.096 -25.667 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.069 -21.614 -25.858 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.807 -22.739 -25.345 1.00 0.00 H new ATOM 420 N MET A 26 8.958 -24.518 -22.252 1.00 0.00 N ATOM 421 CA MET A 26 10.334 -24.233 -21.768 1.00 0.00 C ATOM 422 C MET A 26 11.031 -23.266 -22.729 1.00 0.00 C ATOM 423 O MET A 26 12.101 -23.545 -23.231 1.00 0.00 O ATOM 424 CB MET A 26 11.115 -25.545 -21.692 1.00 0.00 C ATOM 425 CG MET A 26 10.186 -26.654 -21.190 1.00 0.00 C ATOM 426 SD MET A 26 9.716 -26.319 -19.475 1.00 0.00 S ATOM 427 CE MET A 26 11.385 -26.058 -18.825 1.00 0.00 C ATOM 0 H MET A 26 8.216 -24.338 -21.575 1.00 0.00 H new ATOM 0 HA MET A 26 10.290 -23.775 -20.780 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.512 -25.803 -22.674 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.967 -25.437 -21.021 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.297 -26.709 -21.818 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.686 -27.620 -21.259 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.468 -26.517 -17.840 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.113 -26.510 -19.499 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.581 -24.989 -18.744 1.00 0.00 H new ATOM 437 N GLU A 27 10.439 -22.127 -22.987 1.00 0.00 N ATOM 438 CA GLU A 27 11.084 -21.153 -23.915 1.00 0.00 C ATOM 439 C GLU A 27 10.617 -19.731 -23.566 1.00 0.00 C ATOM 440 O GLU A 27 10.593 -19.351 -22.413 1.00 0.00 O ATOM 441 CB GLU A 27 10.707 -21.500 -25.359 1.00 0.00 C ATOM 442 CG GLU A 27 11.263 -22.881 -25.716 1.00 0.00 C ATOM 443 CD GLU A 27 12.789 -22.860 -25.612 1.00 0.00 C ATOM 444 OE1 GLU A 27 13.341 -21.778 -25.493 1.00 0.00 O ATOM 445 OE2 GLU A 27 13.381 -23.926 -25.651 1.00 0.00 O ATOM 0 H GLU A 27 9.543 -21.832 -22.598 1.00 0.00 H new ATOM 0 HA GLU A 27 12.168 -21.204 -23.812 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.623 -21.492 -25.475 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.106 -20.749 -26.040 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.853 -23.635 -25.044 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.961 -23.156 -26.726 1.00 0.00 H new ATOM 452 N MET A 28 10.251 -18.939 -24.543 1.00 0.00 N ATOM 453 CA MET A 28 9.795 -17.552 -24.243 1.00 0.00 C ATOM 454 C MET A 28 8.978 -17.022 -25.422 1.00 0.00 C ATOM 455 O MET A 28 9.194 -17.396 -26.558 1.00 0.00 O ATOM 456 CB MET A 28 11.013 -16.655 -24.022 1.00 0.00 C ATOM 457 CG MET A 28 10.601 -15.424 -23.214 1.00 0.00 C ATOM 458 SD MET A 28 11.708 -14.049 -23.611 1.00 0.00 S ATOM 459 CE MET A 28 10.572 -12.709 -23.179 1.00 0.00 C ATOM 0 H MET A 28 10.249 -19.194 -25.531 1.00 0.00 H new ATOM 0 HA MET A 28 9.178 -17.555 -23.344 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.792 -17.205 -23.494 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.432 -16.350 -24.981 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.570 -15.153 -23.442 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.644 -15.644 -22.147 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.077 -12.002 -22.520 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.253 -12.195 -24.086 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.700 -13.121 -22.670 1.00 0.00 H new ATOM 469 N VAL A 29 8.031 -16.160 -25.164 1.00 0.00 N ATOM 470 CA VAL A 29 7.198 -15.619 -26.275 1.00 0.00 C ATOM 471 C VAL A 29 6.530 -14.315 -25.828 1.00 0.00 C ATOM 472 O VAL A 29 6.235 -14.141 -24.667 1.00 0.00 O ATOM 473 CB VAL A 29 6.153 -16.682 -26.662 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.775 -16.059 -26.934 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.640 -17.394 -27.919 1.00 0.00 C ATOM 0 H VAL A 29 7.799 -15.809 -24.235 1.00 0.00 H new ATOM 0 HA VAL A 29 7.814 -15.395 -27.146 1.00 0.00 H new ATOM 0 HB VAL A 29 6.041 -17.378 -25.831 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.068 -16.843 -27.204 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.424 -15.546 -26.038 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.854 -15.345 -27.753 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.914 -18.153 -28.212 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.754 -16.670 -28.726 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.601 -17.869 -27.719 1.00 0.00 H new ATOM 485 N PRO A 30 6.312 -13.439 -26.777 1.00 0.00 N ATOM 486 CA PRO A 30 5.676 -12.136 -26.521 1.00 0.00 C ATOM 487 C PRO A 30 4.162 -12.288 -26.333 1.00 0.00 C ATOM 488 O PRO A 30 3.467 -12.834 -27.168 1.00 0.00 O ATOM 489 CB PRO A 30 5.997 -11.324 -27.779 1.00 0.00 C ATOM 490 CG PRO A 30 6.296 -12.352 -28.896 1.00 0.00 C ATOM 491 CD PRO A 30 6.684 -13.665 -28.191 1.00 0.00 C ATOM 0 HA PRO A 30 6.038 -11.662 -25.609 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.158 -10.685 -28.054 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.854 -10.671 -27.612 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.424 -12.497 -29.533 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.105 -12.003 -29.538 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.150 -14.517 -28.612 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.749 -13.874 -28.295 1.00 0.00 H new ATOM 499 N VAL A 31 3.658 -11.792 -25.239 1.00 0.00 N ATOM 500 CA VAL A 31 2.194 -11.876 -24.961 1.00 0.00 C ATOM 501 C VAL A 31 1.593 -10.467 -25.036 1.00 0.00 C ATOM 502 O VAL A 31 1.791 -9.670 -24.137 1.00 0.00 O ATOM 503 CB VAL A 31 1.964 -12.435 -23.552 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.502 -12.849 -23.396 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.852 -13.655 -23.324 1.00 0.00 C ATOM 0 H VAL A 31 4.204 -11.325 -24.515 1.00 0.00 H new ATOM 0 HA VAL A 31 1.723 -12.531 -25.694 1.00 0.00 H new ATOM 0 HB VAL A 31 2.210 -11.663 -22.822 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.341 -13.246 -22.394 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.140 -11.982 -23.550 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.260 -13.615 -24.133 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.683 -14.046 -22.321 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.610 -14.423 -24.058 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.898 -13.368 -23.430 1.00 0.00 H new ATOM 515 N PRO A 32 0.880 -10.198 -26.100 1.00 0.00 N ATOM 516 CA PRO A 32 0.242 -8.885 -26.314 1.00 0.00 C ATOM 517 C PRO A 32 -1.014 -8.754 -25.447 1.00 0.00 C ATOM 518 O PRO A 32 -1.172 -9.441 -24.458 1.00 0.00 O ATOM 519 CB PRO A 32 -0.112 -8.896 -27.804 1.00 0.00 C ATOM 520 CG PRO A 32 -0.178 -10.382 -28.226 1.00 0.00 C ATOM 521 CD PRO A 32 0.639 -11.170 -27.186 1.00 0.00 C ATOM 0 HA PRO A 32 0.882 -8.045 -26.043 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.066 -8.400 -27.980 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.638 -8.360 -28.385 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.210 -10.732 -28.254 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.232 -10.520 -29.226 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.091 -12.041 -26.826 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.575 -11.535 -27.609 1.00 0.00 H new ATOM 529 N THR A 33 -1.908 -7.874 -25.809 1.00 0.00 N ATOM 530 CA THR A 33 -3.151 -7.700 -25.001 1.00 0.00 C ATOM 531 C THR A 33 -4.154 -8.778 -25.397 1.00 0.00 C ATOM 532 O THR A 33 -5.093 -9.062 -24.680 1.00 0.00 O ATOM 533 CB THR A 33 -3.775 -6.320 -25.260 1.00 0.00 C ATOM 534 OG1 THR A 33 -4.856 -6.452 -26.172 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.732 -5.375 -25.852 1.00 0.00 C ATOM 0 H THR A 33 -1.833 -7.269 -26.627 1.00 0.00 H new ATOM 0 HA THR A 33 -2.899 -7.781 -23.944 1.00 0.00 H new ATOM 0 HB THR A 33 -4.135 -5.912 -24.316 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.255 -5.572 -26.336 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.185 -4.400 -26.032 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.902 -5.266 -25.154 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.364 -5.783 -26.793 1.00 0.00 H new ATOM 543 N LYS A 34 -3.970 -9.374 -26.540 1.00 0.00 N ATOM 544 CA LYS A 34 -4.922 -10.425 -26.984 1.00 0.00 C ATOM 545 C LYS A 34 -4.474 -11.788 -26.447 1.00 0.00 C ATOM 546 O LYS A 34 -4.676 -12.807 -27.076 1.00 0.00 O ATOM 547 CB LYS A 34 -4.961 -10.465 -28.513 1.00 0.00 C ATOM 548 CG LYS A 34 -6.402 -10.275 -28.991 1.00 0.00 C ATOM 549 CD LYS A 34 -6.676 -11.213 -30.168 1.00 0.00 C ATOM 550 CE LYS A 34 -6.268 -10.528 -31.474 1.00 0.00 C ATOM 551 NZ LYS A 34 -7.394 -9.686 -31.966 1.00 0.00 N ATOM 0 H LYS A 34 -3.203 -9.179 -27.184 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.916 -10.196 -26.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.324 -9.682 -28.924 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.570 -11.417 -28.873 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.097 -10.483 -28.177 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.563 -9.240 -29.292 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.120 -12.142 -30.043 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.733 -11.476 -30.198 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.383 -9.913 -31.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.005 -11.275 -32.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.117 -9.220 -32.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.227 -10.285 -32.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.625 -8.964 -31.254 1.00 0.00 H new ATOM 565 N SER A 35 -3.867 -11.816 -25.292 1.00 0.00 N ATOM 566 CA SER A 35 -3.410 -13.114 -24.724 1.00 0.00 C ATOM 567 C SER A 35 -3.317 -13.004 -23.200 1.00 0.00 C ATOM 568 O SER A 35 -3.652 -13.925 -22.481 1.00 0.00 O ATOM 569 CB SER A 35 -2.034 -13.463 -25.293 1.00 0.00 C ATOM 570 OG SER A 35 -2.197 -14.230 -26.479 1.00 0.00 O ATOM 0 H SER A 35 -3.668 -10.996 -24.718 1.00 0.00 H new ATOM 0 HA SER A 35 -4.123 -13.895 -24.988 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.475 -12.552 -25.509 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.456 -14.025 -24.559 1.00 0.00 H new ATOM 0 HG SER A 35 -3.011 -13.944 -26.944 1.00 0.00 H new ATOM 576 N TYR A 36 -2.866 -11.887 -22.700 1.00 0.00 N ATOM 577 CA TYR A 36 -2.753 -11.724 -21.223 1.00 0.00 C ATOM 578 C TYR A 36 -4.034 -12.231 -20.554 1.00 0.00 C ATOM 579 O TYR A 36 -5.128 -11.858 -20.925 1.00 0.00 O ATOM 580 CB TYR A 36 -2.537 -10.243 -20.882 1.00 0.00 C ATOM 581 CG TYR A 36 -3.845 -9.489 -20.990 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.649 -9.632 -22.128 1.00 0.00 C ATOM 583 CD2 TYR A 36 -4.252 -8.648 -19.948 1.00 0.00 C ATOM 584 CE1 TYR A 36 -5.859 -8.933 -22.223 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.462 -7.950 -20.043 1.00 0.00 C ATOM 586 CZ TYR A 36 -6.265 -8.092 -21.179 1.00 0.00 C ATOM 587 OH TYR A 36 -7.457 -7.403 -21.273 1.00 0.00 O ATOM 0 H TYR A 36 -2.571 -11.080 -23.250 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.904 -12.301 -20.857 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.136 -10.149 -19.873 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.801 -9.809 -21.559 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.336 -10.281 -22.932 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.632 -8.537 -19.070 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.479 -9.042 -23.101 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.775 -7.301 -19.238 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.589 -6.866 -20.464 1.00 0.00 H new ATOM 597 N GLY A 37 -3.906 -13.076 -19.568 1.00 0.00 N ATOM 598 CA GLY A 37 -5.118 -13.601 -18.877 1.00 0.00 C ATOM 599 C GLY A 37 -5.016 -15.120 -18.740 1.00 0.00 C ATOM 600 O GLY A 37 -4.720 -15.638 -17.681 1.00 0.00 O ATOM 0 H GLY A 37 -3.016 -13.425 -19.211 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.214 -13.143 -17.893 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.013 -13.336 -19.440 1.00 0.00 H new ATOM 604 N ASN A 38 -5.260 -15.840 -19.800 1.00 0.00 N ATOM 605 CA ASN A 38 -5.181 -17.327 -19.727 1.00 0.00 C ATOM 606 C ASN A 38 -3.754 -17.783 -20.039 1.00 0.00 C ATOM 607 O ASN A 38 -3.315 -17.750 -21.171 1.00 0.00 O ATOM 608 CB ASN A 38 -6.143 -17.940 -20.746 1.00 0.00 C ATOM 609 CG ASN A 38 -7.455 -17.153 -20.748 1.00 0.00 C ATOM 610 OD1 ASN A 38 -8.340 -17.421 -19.958 1.00 0.00 O ATOM 611 ND2 ASN A 38 -7.621 -16.187 -21.609 1.00 0.00 N ATOM 0 H ASN A 38 -5.511 -15.463 -20.714 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.455 -17.653 -18.724 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.696 -17.924 -21.740 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.334 -18.984 -20.499 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.493 -15.657 -21.619 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.879 -15.962 -22.272 1.00 0.00 H new ATOM 618 N PHE A 39 -3.028 -18.215 -19.043 1.00 0.00 N ATOM 619 CA PHE A 39 -1.633 -18.681 -19.286 1.00 0.00 C ATOM 620 C PHE A 39 -1.394 -19.982 -18.514 1.00 0.00 C ATOM 621 O PHE A 39 -1.796 -20.121 -17.377 1.00 0.00 O ATOM 622 CB PHE A 39 -0.631 -17.612 -18.827 1.00 0.00 C ATOM 623 CG PHE A 39 -1.266 -16.698 -17.803 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.546 -17.172 -16.517 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.569 -15.373 -18.143 1.00 0.00 C ATOM 626 CE1 PHE A 39 -2.128 -16.321 -15.569 1.00 0.00 C ATOM 627 CE2 PHE A 39 -2.153 -14.523 -17.195 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.432 -14.998 -15.909 1.00 0.00 C ATOM 0 H PHE A 39 -3.340 -18.265 -18.073 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.493 -18.857 -20.353 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.250 -18.090 -18.400 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.293 -17.029 -19.684 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.313 -18.194 -16.255 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.352 -15.007 -19.136 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.342 -16.686 -14.575 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.388 -13.502 -17.457 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.882 -14.343 -15.178 1.00 0.00 H new ATOM 638 N TYR A 40 -0.751 -20.942 -19.130 1.00 0.00 N ATOM 639 CA TYR A 40 -0.500 -22.241 -18.437 1.00 0.00 C ATOM 640 C TYR A 40 -0.074 -21.975 -16.991 1.00 0.00 C ATOM 641 O TYR A 40 0.497 -20.947 -16.681 1.00 0.00 O ATOM 642 CB TYR A 40 0.616 -23.009 -19.156 1.00 0.00 C ATOM 643 CG TYR A 40 0.181 -23.380 -20.561 1.00 0.00 C ATOM 644 CD1 TYR A 40 -1.052 -22.946 -21.063 1.00 0.00 C ATOM 645 CD2 TYR A 40 1.016 -24.171 -21.359 1.00 0.00 C ATOM 646 CE1 TYR A 40 -1.450 -23.300 -22.355 1.00 0.00 C ATOM 647 CE2 TYR A 40 0.617 -24.525 -22.654 1.00 0.00 C ATOM 648 CZ TYR A 40 -0.615 -24.089 -23.152 1.00 0.00 C ATOM 649 OH TYR A 40 -1.008 -24.439 -24.428 1.00 0.00 O ATOM 0 H TYR A 40 -0.390 -20.882 -20.082 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.415 -22.834 -18.450 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.518 -22.399 -19.197 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.866 -23.910 -18.596 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.698 -22.335 -20.449 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.968 -24.508 -20.976 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.402 -22.964 -22.738 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.262 -25.136 -23.269 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.312 -24.988 -24.846 1.00 0.00 H new ATOM 659 N GLU A 41 -0.345 -22.892 -16.102 1.00 0.00 N ATOM 660 CA GLU A 41 0.045 -22.691 -14.680 1.00 0.00 C ATOM 661 C GLU A 41 1.437 -23.267 -14.440 1.00 0.00 C ATOM 662 O GLU A 41 2.227 -22.721 -13.696 1.00 0.00 O ATOM 663 CB GLU A 41 -0.961 -23.400 -13.766 1.00 0.00 C ATOM 664 CG GLU A 41 -0.737 -24.913 -13.826 1.00 0.00 C ATOM 665 CD GLU A 41 -1.754 -25.616 -12.926 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.930 -25.312 -13.043 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.340 -26.447 -12.134 1.00 0.00 O ATOM 0 H GLU A 41 -0.820 -23.772 -16.301 1.00 0.00 H new ATOM 0 HA GLU A 41 0.051 -21.624 -14.459 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.848 -23.046 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.979 -23.161 -14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.839 -25.266 -14.852 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.276 -25.154 -13.505 1.00 0.00 H new ATOM 674 N GLY A 42 1.737 -24.373 -15.051 1.00 0.00 N ATOM 675 CA GLY A 42 3.069 -24.992 -14.844 1.00 0.00 C ATOM 676 C GLY A 42 4.090 -24.382 -15.806 1.00 0.00 C ATOM 677 O GLY A 42 4.602 -25.055 -16.679 1.00 0.00 O ATOM 0 H GLY A 42 1.117 -24.876 -15.686 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.393 -24.840 -13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.007 -26.069 -15.003 1.00 0.00 H new ATOM 681 N ASP A 43 4.408 -23.120 -15.652 1.00 0.00 N ATOM 682 CA ASP A 43 5.413 -22.498 -16.570 1.00 0.00 C ATOM 683 C ASP A 43 5.944 -21.188 -15.970 1.00 0.00 C ATOM 684 O ASP A 43 6.003 -21.013 -14.770 1.00 0.00 O ATOM 685 CB ASP A 43 4.773 -22.191 -17.933 1.00 0.00 C ATOM 686 CG ASP A 43 3.771 -23.282 -18.318 1.00 0.00 C ATOM 687 OD1 ASP A 43 2.716 -23.330 -17.709 1.00 0.00 O ATOM 688 OD2 ASP A 43 4.078 -24.050 -19.214 1.00 0.00 O ATOM 0 H ASP A 43 4.021 -22.500 -14.940 1.00 0.00 H new ATOM 0 HA ASP A 43 6.234 -23.203 -16.700 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.270 -21.225 -17.895 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.548 -22.116 -18.696 1.00 0.00 H new ATOM 693 N CYS A 44 6.321 -20.263 -16.820 1.00 0.00 N ATOM 694 CA CYS A 44 6.845 -18.947 -16.352 1.00 0.00 C ATOM 695 C CYS A 44 6.266 -17.850 -17.246 1.00 0.00 C ATOM 696 O CYS A 44 6.006 -18.065 -18.412 1.00 0.00 O ATOM 697 CB CYS A 44 8.372 -18.946 -16.462 1.00 0.00 C ATOM 698 SG CYS A 44 9.081 -19.873 -15.079 1.00 0.00 S ATOM 0 H CYS A 44 6.286 -20.369 -17.834 1.00 0.00 H new ATOM 0 HA CYS A 44 6.559 -18.772 -15.315 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.679 -19.393 -17.408 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.746 -17.922 -16.457 1.00 0.00 H new ATOM 0 HG CYS A 44 8.155 -20.594 -14.520 1.00 0.00 H new ATOM 704 N TYR A 45 6.045 -16.681 -16.713 1.00 0.00 N ATOM 705 CA TYR A 45 5.465 -15.585 -17.542 1.00 0.00 C ATOM 706 C TYR A 45 6.051 -14.241 -17.104 1.00 0.00 C ATOM 707 O TYR A 45 5.740 -13.737 -16.044 1.00 0.00 O ATOM 708 CB TYR A 45 3.949 -15.554 -17.341 1.00 0.00 C ATOM 709 CG TYR A 45 3.300 -16.635 -18.172 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.431 -17.980 -17.803 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.561 -16.291 -19.308 1.00 0.00 C ATOM 712 CE1 TYR A 45 2.824 -18.978 -18.570 1.00 0.00 C ATOM 713 CE2 TYR A 45 1.954 -17.291 -20.075 1.00 0.00 C ATOM 714 CZ TYR A 45 2.084 -18.635 -19.707 1.00 0.00 C ATOM 715 OH TYR A 45 1.484 -19.620 -20.465 1.00 0.00 O ATOM 0 H TYR A 45 6.240 -16.436 -15.742 1.00 0.00 H new ATOM 0 HA TYR A 45 5.701 -15.762 -18.591 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.710 -15.700 -16.288 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.555 -14.578 -17.626 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.001 -18.246 -16.925 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.459 -15.254 -19.593 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.926 -20.015 -18.285 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.384 -17.025 -20.953 1.00 0.00 H new ATOM 0 HH TYR A 45 1.861 -20.492 -20.225 1.00 0.00 H new ATOM 725 N VAL A 46 6.884 -13.645 -17.913 1.00 0.00 N ATOM 726 CA VAL A 46 7.467 -12.324 -17.533 1.00 0.00 C ATOM 727 C VAL A 46 6.431 -11.237 -17.813 1.00 0.00 C ATOM 728 O VAL A 46 5.957 -11.102 -18.918 1.00 0.00 O ATOM 729 CB VAL A 46 8.727 -12.063 -18.362 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.273 -10.671 -18.037 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.784 -13.116 -18.026 1.00 0.00 C ATOM 0 H VAL A 46 7.186 -14.012 -18.816 1.00 0.00 H new ATOM 0 HA VAL A 46 7.732 -12.321 -16.476 1.00 0.00 H new ATOM 0 HB VAL A 46 8.482 -12.118 -19.423 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.170 -10.485 -18.627 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.520 -9.920 -18.275 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.518 -10.615 -16.976 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.682 -12.931 -18.616 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.029 -13.060 -16.965 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.396 -14.108 -18.257 1.00 0.00 H new ATOM 741 N LEU A 47 6.061 -10.472 -16.817 1.00 0.00 N ATOM 742 CA LEU A 47 5.029 -9.410 -17.033 1.00 0.00 C ATOM 743 C LEU A 47 5.682 -8.024 -16.999 1.00 0.00 C ATOM 744 O LEU A 47 6.316 -7.652 -16.036 1.00 0.00 O ATOM 745 CB LEU A 47 3.977 -9.507 -15.926 1.00 0.00 C ATOM 746 CG LEU A 47 2.952 -8.384 -16.084 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.558 -8.916 -15.747 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.301 -7.237 -15.135 1.00 0.00 C ATOM 0 H LEU A 47 6.427 -10.536 -15.867 1.00 0.00 H new ATOM 0 HA LEU A 47 4.561 -9.554 -18.007 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.478 -10.475 -15.970 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.456 -9.439 -14.949 1.00 0.00 H new ATOM 0 HG LEU A 47 2.966 -8.022 -17.112 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.826 -8.116 -15.859 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.308 -9.734 -16.422 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.545 -9.278 -14.719 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.570 -6.436 -15.248 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.287 -7.599 -14.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.295 -6.857 -15.373 1.00 0.00 H new ATOM 760 N LEU A 48 5.525 -7.248 -18.038 1.00 0.00 N ATOM 761 CA LEU A 48 6.143 -5.890 -18.048 1.00 0.00 C ATOM 762 C LEU A 48 5.068 -4.828 -17.811 1.00 0.00 C ATOM 763 O LEU A 48 4.347 -4.448 -18.712 1.00 0.00 O ATOM 764 CB LEU A 48 6.820 -5.639 -19.401 1.00 0.00 C ATOM 765 CG LEU A 48 7.155 -4.152 -19.545 1.00 0.00 C ATOM 766 CD1 LEU A 48 8.100 -3.726 -18.419 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.832 -3.912 -20.895 1.00 0.00 C ATOM 0 H LEU A 48 4.998 -7.494 -18.876 1.00 0.00 H new ATOM 0 HA LEU A 48 6.887 -5.832 -17.254 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.729 -6.235 -19.479 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.162 -5.953 -20.211 1.00 0.00 H new ATOM 0 HG LEU A 48 6.237 -3.567 -19.487 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.337 -2.667 -18.524 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.619 -3.897 -17.456 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.018 -4.310 -18.474 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.071 -2.854 -20.999 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.749 -4.499 -20.952 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.159 -4.213 -21.698 1.00 0.00 H new ATOM 779 N SER A 49 4.965 -4.335 -16.607 1.00 0.00 N ATOM 780 CA SER A 49 3.948 -3.286 -16.319 1.00 0.00 C ATOM 781 C SER A 49 4.516 -1.932 -16.716 1.00 0.00 C ATOM 782 O SER A 49 5.603 -1.558 -16.322 1.00 0.00 O ATOM 783 CB SER A 49 3.607 -3.289 -14.829 1.00 0.00 C ATOM 784 OG SER A 49 2.455 -2.486 -14.609 1.00 0.00 O ATOM 0 H SER A 49 5.540 -4.613 -15.812 1.00 0.00 H new ATOM 0 HA SER A 49 3.039 -3.486 -16.887 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.425 -4.308 -14.488 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.448 -2.905 -14.251 1.00 0.00 H new ATOM 0 HG SER A 49 2.233 -2.487 -13.655 1.00 0.00 H new ATOM 790 N THR A 50 3.795 -1.204 -17.512 1.00 0.00 N ATOM 791 CA THR A 50 4.289 0.116 -17.963 1.00 0.00 C ATOM 792 C THR A 50 3.268 1.191 -17.577 1.00 0.00 C ATOM 793 O THR A 50 2.160 1.212 -18.070 1.00 0.00 O ATOM 794 CB THR A 50 4.460 0.038 -19.481 1.00 0.00 C ATOM 795 OG1 THR A 50 5.743 -0.496 -19.779 1.00 0.00 O ATOM 796 CG2 THR A 50 4.328 1.423 -20.114 1.00 0.00 C ATOM 0 H THR A 50 2.878 -1.469 -17.872 1.00 0.00 H new ATOM 0 HA THR A 50 5.240 0.374 -17.497 1.00 0.00 H new ATOM 0 HB THR A 50 3.680 -0.605 -19.889 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.364 0.236 -19.978 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.453 1.343 -21.194 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.342 1.832 -19.892 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.094 2.083 -19.708 1.00 0.00 H new ATOM 804 N ARG A 51 3.631 2.081 -16.697 1.00 0.00 N ATOM 805 CA ARG A 51 2.678 3.146 -16.279 1.00 0.00 C ATOM 806 C ARG A 51 3.235 4.509 -16.686 1.00 0.00 C ATOM 807 O ARG A 51 4.354 4.853 -16.362 1.00 0.00 O ATOM 808 CB ARG A 51 2.493 3.101 -14.761 1.00 0.00 C ATOM 809 CG ARG A 51 1.040 3.426 -14.414 1.00 0.00 C ATOM 810 CD ARG A 51 1.002 4.447 -13.276 1.00 0.00 C ATOM 811 NE ARG A 51 0.405 3.819 -12.063 1.00 0.00 N ATOM 812 CZ ARG A 51 1.147 3.097 -11.269 1.00 0.00 C ATOM 813 NH1 ARG A 51 2.345 3.504 -10.947 1.00 0.00 N ATOM 814 NH2 ARG A 51 0.693 1.969 -10.797 1.00 0.00 N ATOM 0 H ARG A 51 4.547 2.117 -16.249 1.00 0.00 H new ATOM 0 HA ARG A 51 1.715 2.985 -16.764 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.757 2.114 -14.381 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.161 3.816 -14.281 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.526 3.823 -15.290 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.514 2.518 -14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.010 4.800 -13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.417 5.317 -13.573 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.584 3.954 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.700 4.386 -11.316 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.926 2.940 -10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.243 1.651 -11.049 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.274 1.405 -10.176 1.00 0.00 H new ATOM 828 N LYS A 52 2.466 5.286 -17.395 1.00 0.00 N ATOM 829 CA LYS A 52 2.958 6.623 -17.822 1.00 0.00 C ATOM 830 C LYS A 52 3.493 7.379 -16.603 1.00 0.00 C ATOM 831 O LYS A 52 3.528 6.858 -15.506 1.00 0.00 O ATOM 832 CB LYS A 52 1.808 7.414 -18.448 1.00 0.00 C ATOM 833 CG LYS A 52 0.824 7.839 -17.356 1.00 0.00 C ATOM 834 CD LYS A 52 -0.418 8.460 -17.997 1.00 0.00 C ATOM 835 CE LYS A 52 -1.228 9.200 -16.931 1.00 0.00 C ATOM 836 NZ LYS A 52 -1.101 8.491 -15.627 1.00 0.00 N ATOM 0 H LYS A 52 1.520 5.053 -17.697 1.00 0.00 H new ATOM 0 HA LYS A 52 3.755 6.501 -18.555 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.196 8.292 -18.964 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.298 6.805 -19.194 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.541 6.977 -16.752 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.297 8.557 -16.686 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.125 9.149 -18.789 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.028 7.684 -18.459 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.871 10.226 -16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.276 9.253 -17.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.825 8.843 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.233 7.470 -15.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.156 8.664 -15.228 1.00 0.00 H new ATOM 850 N THR A 53 3.910 8.602 -16.785 1.00 0.00 N ATOM 851 CA THR A 53 4.441 9.384 -15.633 1.00 0.00 C ATOM 852 C THR A 53 4.829 10.786 -16.105 1.00 0.00 C ATOM 853 O THR A 53 5.152 10.996 -17.257 1.00 0.00 O ATOM 854 CB THR A 53 5.673 8.678 -15.063 1.00 0.00 C ATOM 855 OG1 THR A 53 6.251 7.855 -16.067 1.00 0.00 O ATOM 856 CG2 THR A 53 5.265 7.817 -13.867 1.00 0.00 C ATOM 0 H THR A 53 3.906 9.093 -17.679 1.00 0.00 H new ATOM 0 HA THR A 53 3.676 9.460 -14.861 1.00 0.00 H new ATOM 0 HB THR A 53 6.400 9.422 -14.738 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.013 7.366 -15.691 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.144 7.315 -13.463 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.822 8.449 -13.097 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.537 7.072 -14.187 1.00 0.00 H new ATOM 864 N GLY A 54 4.803 11.748 -15.222 1.00 0.00 N ATOM 865 CA GLY A 54 5.174 13.134 -15.622 1.00 0.00 C ATOM 866 C GLY A 54 6.433 13.091 -16.491 1.00 0.00 C ATOM 867 O GLY A 54 6.663 13.956 -17.312 1.00 0.00 O ATOM 0 H GLY A 54 4.541 11.633 -14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.355 13.598 -16.172 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.350 13.745 -14.737 1.00 0.00 H new ATOM 871 N SER A 55 7.249 12.088 -16.315 1.00 0.00 N ATOM 872 CA SER A 55 8.491 11.986 -17.130 1.00 0.00 C ATOM 873 C SER A 55 8.182 11.254 -18.439 1.00 0.00 C ATOM 874 O SER A 55 8.664 11.618 -19.493 1.00 0.00 O ATOM 875 CB SER A 55 9.552 11.209 -16.349 1.00 0.00 C ATOM 876 OG SER A 55 10.822 11.814 -16.553 1.00 0.00 O ATOM 0 H SER A 55 7.109 11.335 -15.642 1.00 0.00 H new ATOM 0 HA SER A 55 8.864 12.986 -17.351 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.306 11.202 -15.287 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.574 10.170 -16.678 1.00 0.00 H new ATOM 0 HG SER A 55 11.504 11.319 -16.052 1.00 0.00 H new ATOM 882 N GLY A 56 7.381 10.225 -18.380 1.00 0.00 N ATOM 883 CA GLY A 56 7.043 9.474 -19.621 1.00 0.00 C ATOM 884 C GLY A 56 6.444 8.114 -19.256 1.00 0.00 C ATOM 885 O GLY A 56 5.268 7.873 -19.444 1.00 0.00 O ATOM 0 H GLY A 56 6.947 9.873 -17.527 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.334 10.045 -20.221 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.937 9.337 -20.229 1.00 0.00 H new ATOM 889 N PHE A 57 7.244 7.222 -18.738 1.00 0.00 N ATOM 890 CA PHE A 57 6.719 5.877 -18.364 1.00 0.00 C ATOM 891 C PHE A 57 7.318 5.398 -17.042 1.00 0.00 C ATOM 892 O PHE A 57 8.190 6.017 -16.465 1.00 0.00 O ATOM 893 CB PHE A 57 7.083 4.855 -19.448 1.00 0.00 C ATOM 894 CG PHE A 57 5.879 4.509 -20.296 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.606 4.414 -19.715 1.00 0.00 C ATOM 896 CD2 PHE A 57 6.045 4.241 -21.660 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.502 4.060 -20.501 1.00 0.00 C ATOM 898 CE2 PHE A 57 4.942 3.878 -22.442 1.00 0.00 C ATOM 899 CZ PHE A 57 3.671 3.789 -21.862 1.00 0.00 C ATOM 0 H PHE A 57 8.238 7.366 -18.558 1.00 0.00 H new ATOM 0 HA PHE A 57 5.637 5.963 -18.262 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.874 5.258 -20.081 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.476 3.951 -18.983 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.477 4.614 -18.662 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.024 4.314 -22.109 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.520 3.996 -20.056 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.072 3.667 -23.493 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.820 3.511 -22.466 1.00 0.00 H new ATOM 909 N SER A 58 6.851 4.270 -16.589 1.00 0.00 N ATOM 910 CA SER A 58 7.358 3.665 -15.328 1.00 0.00 C ATOM 911 C SER A 58 7.250 2.149 -15.489 1.00 0.00 C ATOM 912 O SER A 58 6.234 1.554 -15.190 1.00 0.00 O ATOM 913 CB SER A 58 6.501 4.125 -14.147 1.00 0.00 C ATOM 914 OG SER A 58 7.151 5.204 -13.489 1.00 0.00 O ATOM 0 H SER A 58 6.121 3.729 -17.052 1.00 0.00 H new ATOM 0 HA SER A 58 8.388 3.967 -15.136 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.517 4.437 -14.496 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.346 3.300 -13.452 1.00 0.00 H new ATOM 0 HG SER A 58 7.528 5.815 -14.156 1.00 0.00 H new ATOM 920 N TYR A 59 8.271 1.526 -16.008 1.00 0.00 N ATOM 921 CA TYR A 59 8.203 0.058 -16.243 1.00 0.00 C ATOM 922 C TYR A 59 8.430 -0.723 -14.949 1.00 0.00 C ATOM 923 O TYR A 59 9.022 -0.246 -14.002 1.00 0.00 O ATOM 924 CB TYR A 59 9.263 -0.339 -17.270 1.00 0.00 C ATOM 925 CG TYR A 59 9.279 0.669 -18.395 1.00 0.00 C ATOM 926 CD1 TYR A 59 8.080 1.046 -19.012 1.00 0.00 C ATOM 927 CD2 TYR A 59 10.490 1.225 -18.820 1.00 0.00 C ATOM 928 CE1 TYR A 59 8.092 1.980 -20.054 1.00 0.00 C ATOM 929 CE2 TYR A 59 10.503 2.160 -19.864 1.00 0.00 C ATOM 930 CZ TYR A 59 9.304 2.537 -20.481 1.00 0.00 C ATOM 931 OH TYR A 59 9.318 3.457 -21.509 1.00 0.00 O ATOM 0 H TYR A 59 9.148 1.970 -16.279 1.00 0.00 H new ATOM 0 HA TYR A 59 7.208 -0.184 -16.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.244 -0.386 -16.796 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.050 -1.334 -17.662 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.145 0.616 -18.684 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.415 0.934 -18.344 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.167 2.271 -20.529 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.438 2.590 -20.193 1.00 0.00 H new ATOM 0 HH TYR A 59 10.240 3.744 -21.679 1.00 0.00 H new ATOM 941 N ASN A 60 7.951 -1.935 -14.928 1.00 0.00 N ATOM 942 CA ASN A 60 8.099 -2.813 -13.735 1.00 0.00 C ATOM 943 C ASN A 60 8.113 -4.255 -14.229 1.00 0.00 C ATOM 944 O ASN A 60 7.090 -4.896 -14.326 1.00 0.00 O ATOM 945 CB ASN A 60 6.909 -2.597 -12.798 1.00 0.00 C ATOM 946 CG ASN A 60 7.287 -1.586 -11.714 1.00 0.00 C ATOM 947 OD1 ASN A 60 8.028 -1.900 -10.805 1.00 0.00 O ATOM 948 ND2 ASN A 60 6.804 -0.374 -11.772 1.00 0.00 N ATOM 0 H ASN A 60 7.451 -2.363 -15.707 1.00 0.00 H new ATOM 0 HA ASN A 60 9.017 -2.586 -13.193 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.049 -2.236 -13.363 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.616 -3.543 -12.342 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.049 0.308 -11.054 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.181 -0.109 -12.535 1.00 0.00 H new ATOM 955 N ILE A 61 9.265 -4.760 -14.577 1.00 0.00 N ATOM 956 CA ILE A 61 9.336 -6.150 -15.100 1.00 0.00 C ATOM 957 C ILE A 61 9.082 -7.152 -13.981 1.00 0.00 C ATOM 958 O ILE A 61 9.532 -6.992 -12.866 1.00 0.00 O ATOM 959 CB ILE A 61 10.714 -6.407 -15.709 1.00 0.00 C ATOM 960 CG1 ILE A 61 11.119 -5.217 -16.582 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.657 -7.671 -16.566 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.450 -5.519 -17.273 1.00 0.00 C ATOM 0 H ILE A 61 10.158 -4.270 -14.521 1.00 0.00 H new ATOM 0 HA ILE A 61 8.570 -6.271 -15.866 1.00 0.00 H new ATOM 0 HB ILE A 61 11.447 -6.536 -14.913 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.348 -5.019 -17.326 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.210 -4.319 -15.971 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.638 -7.859 -17.003 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.368 -8.519 -15.945 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.925 -7.538 -17.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.738 -4.671 -17.895 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.219 -5.695 -16.521 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.343 -6.406 -17.897 1.00 0.00 H new ATOM 974 N HIS A 62 8.365 -8.191 -14.291 1.00 0.00 N ATOM 975 CA HIS A 62 8.055 -9.235 -13.284 1.00 0.00 C ATOM 976 C HIS A 62 8.477 -10.580 -13.828 1.00 0.00 C ATOM 977 O HIS A 62 8.588 -10.768 -15.023 1.00 0.00 O ATOM 978 CB HIS A 62 6.548 -9.311 -13.069 1.00 0.00 C ATOM 979 CG HIS A 62 6.027 -8.001 -12.556 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.794 -6.807 -13.189 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.664 -7.808 -11.233 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.293 -5.883 -12.277 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.234 -6.538 -11.113 1.00 0.00 N flip ATOM 0 H HIS A 62 7.974 -8.363 -15.217 1.00 0.00 H new ATOM 0 HA HIS A 62 8.572 -8.991 -12.356 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.053 -9.565 -14.006 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.315 -10.105 -12.360 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.962 -6.624 -14.178 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.716 -8.542 -10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.012 -4.858 -12.468 1.00 0.00 H new ATOM 991 N TYR A 63 8.656 -11.542 -12.980 1.00 0.00 N ATOM 992 CA TYR A 63 9.004 -12.876 -13.509 1.00 0.00 C ATOM 993 C TYR A 63 8.168 -13.948 -12.808 1.00 0.00 C ATOM 994 O TYR A 63 8.484 -14.415 -11.732 1.00 0.00 O ATOM 995 CB TYR A 63 10.512 -13.156 -13.394 1.00 0.00 C ATOM 996 CG TYR A 63 10.954 -13.277 -11.952 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.351 -12.137 -11.244 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.003 -14.533 -11.338 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.796 -12.254 -9.921 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.442 -14.650 -10.014 1.00 0.00 C ATOM 1001 CZ TYR A 63 11.840 -13.511 -9.306 1.00 0.00 C ATOM 1002 OH TYR A 63 12.284 -13.628 -8.005 1.00 0.00 O ATOM 0 H TYR A 63 8.579 -11.466 -11.966 1.00 0.00 H new ATOM 0 HA TYR A 63 8.767 -12.900 -14.573 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.752 -14.077 -13.926 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.068 -12.354 -13.878 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.314 -11.167 -11.718 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.702 -15.413 -11.886 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.105 -11.375 -9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.473 -15.619 -9.539 1.00 0.00 H new ATOM 0 HH TYR A 63 12.250 -14.568 -7.731 1.00 0.00 H new ATOM 1012 N TRP A 64 7.086 -14.327 -13.437 1.00 0.00 N ATOM 1013 CA TRP A 64 6.183 -15.363 -12.867 1.00 0.00 C ATOM 1014 C TRP A 64 6.847 -16.726 -13.017 1.00 0.00 C ATOM 1015 O TRP A 64 7.357 -17.066 -14.067 1.00 0.00 O ATOM 1016 CB TRP A 64 4.857 -15.331 -13.633 1.00 0.00 C ATOM 1017 CG TRP A 64 3.793 -16.034 -12.860 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.380 -15.707 -11.615 1.00 0.00 C ATOM 1019 CD2 TRP A 64 2.986 -17.170 -13.271 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.372 -16.576 -11.240 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.094 -17.495 -12.227 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.948 -17.942 -14.439 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.190 -18.548 -12.338 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 2.040 -19.006 -14.559 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.163 -19.306 -13.510 1.00 0.00 C ATOM 0 H TRP A 64 6.787 -13.953 -14.338 1.00 0.00 H new ATOM 0 HA TRP A 64 5.993 -15.172 -11.811 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.560 -14.298 -13.816 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.981 -15.804 -14.607 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.772 -14.901 -11.013 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.892 -16.541 -10.341 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.622 -17.717 -15.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.516 -18.776 -11.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.018 -19.595 -15.464 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.465 -20.124 -13.607 1.00 0.00 H new ATOM 1036 N LEU A 65 6.877 -17.498 -11.970 1.00 0.00 N ATOM 1037 CA LEU A 65 7.550 -18.822 -12.046 1.00 0.00 C ATOM 1038 C LEU A 65 6.577 -19.953 -11.707 1.00 0.00 C ATOM 1039 O LEU A 65 6.801 -20.691 -10.774 1.00 0.00 O ATOM 1040 CB LEU A 65 8.704 -18.854 -11.034 1.00 0.00 C ATOM 1041 CG LEU A 65 9.979 -18.167 -11.572 1.00 0.00 C ATOM 1042 CD1 LEU A 65 11.005 -19.232 -11.953 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.693 -17.291 -12.800 1.00 0.00 C ATOM 0 H LEU A 65 6.465 -17.270 -11.065 1.00 0.00 H new ATOM 0 HA LEU A 65 7.917 -18.964 -13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.390 -18.362 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.932 -19.889 -10.780 1.00 0.00 H new ATOM 0 HG LEU A 65 10.362 -17.522 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.906 -18.750 -12.333 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.255 -19.827 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.588 -19.880 -12.724 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.620 -16.830 -13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.279 -17.907 -13.598 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.977 -16.513 -12.533 1.00 0.00 H new ATOM 1055 N GLY A 66 5.519 -20.113 -12.462 1.00 0.00 N ATOM 1056 CA GLY A 66 4.563 -21.231 -12.180 1.00 0.00 C ATOM 1057 C GLY A 66 5.374 -22.522 -12.019 1.00 0.00 C ATOM 1058 O GLY A 66 5.655 -23.209 -12.986 1.00 0.00 O ATOM 0 H GLY A 66 5.276 -19.522 -13.257 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.992 -21.025 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.845 -21.332 -12.993 1.00 0.00 H new ATOM 1062 N LYS A 67 5.771 -22.806 -10.799 1.00 0.00 N ATOM 1063 CA LYS A 67 6.617 -23.995 -10.474 1.00 0.00 C ATOM 1064 C LYS A 67 6.237 -25.221 -11.285 1.00 0.00 C ATOM 1065 O LYS A 67 5.384 -26.002 -10.914 1.00 0.00 O ATOM 1066 CB LYS A 67 6.482 -24.317 -8.984 1.00 0.00 C ATOM 1067 CG LYS A 67 7.721 -25.079 -8.510 1.00 0.00 C ATOM 1068 CD LYS A 67 8.587 -24.160 -7.647 1.00 0.00 C ATOM 1069 CE LYS A 67 9.898 -23.859 -8.376 1.00 0.00 C ATOM 1070 NZ LYS A 67 10.841 -24.999 -8.192 1.00 0.00 N ATOM 0 H LYS A 67 5.532 -22.238 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 67 7.647 -23.742 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.367 -23.397 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.587 -24.914 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.424 -25.958 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.292 -25.435 -9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.054 -23.232 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.793 -24.633 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.708 -23.698 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.340 -22.941 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.733 -24.795 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.031 -25.132 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.418 -25.866 -8.582 1.00 0.00 H new ATOM 1084 N ASN A 68 6.903 -25.399 -12.379 1.00 0.00 N ATOM 1085 CA ASN A 68 6.650 -26.583 -13.237 1.00 0.00 C ATOM 1086 C ASN A 68 7.830 -26.766 -14.187 1.00 0.00 C ATOM 1087 O ASN A 68 8.337 -27.855 -14.367 1.00 0.00 O ATOM 1088 CB ASN A 68 5.377 -26.355 -14.026 1.00 0.00 C ATOM 1089 CG ASN A 68 4.222 -27.109 -13.361 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.524 -26.519 -12.429 1.00 0.00 O flip ATOM 1091 ND2 ASN A 68 3.954 -28.245 -13.693 1.00 0.00 N flip ATOM 0 H ASN A 68 7.625 -24.766 -12.724 1.00 0.00 H new ATOM 0 HA ASN A 68 6.538 -27.479 -12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.151 -25.290 -14.072 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.506 -26.698 -15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.500 -28.706 -14.421 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.183 -28.739 -13.244 1.00 0.00 H new ATOM 1098 N SER A 69 8.273 -25.698 -14.794 1.00 0.00 N ATOM 1099 CA SER A 69 9.425 -25.802 -15.733 1.00 0.00 C ATOM 1100 C SER A 69 10.640 -26.353 -14.983 1.00 0.00 C ATOM 1101 O SER A 69 10.509 -27.010 -13.969 1.00 0.00 O ATOM 1102 CB SER A 69 9.754 -24.417 -16.290 1.00 0.00 C ATOM 1103 OG SER A 69 10.176 -23.572 -15.226 1.00 0.00 O ATOM 0 H SER A 69 7.888 -24.761 -14.680 1.00 0.00 H new ATOM 0 HA SER A 69 9.169 -26.471 -16.554 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.538 -24.492 -17.043 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.879 -23.993 -16.782 1.00 0.00 H new ATOM 0 HG SER A 69 9.937 -22.644 -15.431 1.00 0.00 H new ATOM 1109 N SER A 70 11.821 -26.091 -15.472 1.00 0.00 N ATOM 1110 CA SER A 70 13.040 -26.601 -14.784 1.00 0.00 C ATOM 1111 C SER A 70 13.786 -25.432 -14.138 1.00 0.00 C ATOM 1112 O SER A 70 13.591 -24.287 -14.493 1.00 0.00 O ATOM 1113 CB SER A 70 13.952 -27.286 -15.802 1.00 0.00 C ATOM 1114 OG SER A 70 13.837 -26.624 -17.055 1.00 0.00 O ATOM 0 H SER A 70 11.994 -25.547 -16.317 1.00 0.00 H new ATOM 0 HA SER A 70 12.750 -27.318 -14.016 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.986 -27.260 -15.457 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.677 -28.336 -15.906 1.00 0.00 H new ATOM 0 HG SER A 70 14.714 -26.597 -17.492 1.00 0.00 H new ATOM 1120 N GLN A 71 14.638 -25.710 -13.190 1.00 0.00 N ATOM 1121 CA GLN A 71 15.395 -24.612 -12.523 1.00 0.00 C ATOM 1122 C GLN A 71 15.960 -23.667 -13.585 1.00 0.00 C ATOM 1123 O GLN A 71 15.870 -22.460 -13.469 1.00 0.00 O ATOM 1124 CB GLN A 71 16.544 -25.206 -11.704 1.00 0.00 C ATOM 1125 CG GLN A 71 17.069 -26.468 -12.393 1.00 0.00 C ATOM 1126 CD GLN A 71 16.624 -27.702 -11.606 1.00 0.00 C ATOM 1127 OE1 GLN A 71 15.951 -28.564 -12.135 1.00 0.00 O ATOM 1128 NE2 GLN A 71 16.973 -27.825 -10.355 1.00 0.00 N ATOM 0 H GLN A 71 14.843 -26.649 -12.848 1.00 0.00 H new ATOM 0 HA GLN A 71 14.727 -24.060 -11.862 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.346 -24.475 -11.602 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.200 -25.445 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.693 -26.520 -13.415 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.157 -26.436 -12.455 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.538 -27.102 -9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.681 -28.644 -9.822 1.00 0.00 H new ATOM 1137 N ASP A 72 16.540 -24.204 -14.624 1.00 0.00 N ATOM 1138 CA ASP A 72 17.106 -23.334 -15.690 1.00 0.00 C ATOM 1139 C ASP A 72 16.003 -22.439 -16.252 1.00 0.00 C ATOM 1140 O ASP A 72 16.210 -21.266 -16.489 1.00 0.00 O ATOM 1141 CB ASP A 72 17.684 -24.202 -16.810 1.00 0.00 C ATOM 1142 CG ASP A 72 16.546 -24.918 -17.541 1.00 0.00 C ATOM 1143 OD1 ASP A 72 15.991 -24.328 -18.454 1.00 0.00 O ATOM 1144 OD2 ASP A 72 16.249 -26.043 -17.176 1.00 0.00 O ATOM 0 H ASP A 72 16.646 -25.207 -14.779 1.00 0.00 H new ATOM 0 HA ASP A 72 17.899 -22.715 -15.271 1.00 0.00 H new ATOM 0 HB2 ASP A 72 18.247 -23.584 -17.509 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.380 -24.931 -16.396 1.00 0.00 H new ATOM 1149 N GLU A 73 14.831 -22.973 -16.459 1.00 0.00 N ATOM 1150 CA GLU A 73 13.729 -22.130 -16.993 1.00 0.00 C ATOM 1151 C GLU A 73 13.567 -20.916 -16.082 1.00 0.00 C ATOM 1152 O GLU A 73 13.364 -19.808 -16.536 1.00 0.00 O ATOM 1153 CB GLU A 73 12.427 -22.931 -17.024 1.00 0.00 C ATOM 1154 CG GLU A 73 11.662 -22.614 -18.311 1.00 0.00 C ATOM 1155 CD GLU A 73 12.558 -22.889 -19.519 1.00 0.00 C ATOM 1156 OE1 GLU A 73 13.350 -23.815 -19.447 1.00 0.00 O ATOM 1157 OE2 GLU A 73 12.438 -22.169 -20.497 1.00 0.00 O ATOM 0 H GLU A 73 14.591 -23.949 -16.283 1.00 0.00 H new ATOM 0 HA GLU A 73 13.964 -21.809 -18.008 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.643 -23.998 -16.970 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.816 -22.685 -16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.759 -23.222 -18.369 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.345 -21.571 -18.310 1.00 0.00 H new ATOM 1164 N GLN A 74 13.680 -21.111 -14.797 1.00 0.00 N ATOM 1165 CA GLN A 74 13.559 -19.961 -13.867 1.00 0.00 C ATOM 1166 C GLN A 74 14.661 -18.961 -14.208 1.00 0.00 C ATOM 1167 O GLN A 74 14.464 -17.763 -14.175 1.00 0.00 O ATOM 1168 CB GLN A 74 13.724 -20.440 -12.422 1.00 0.00 C ATOM 1169 CG GLN A 74 13.946 -19.236 -11.505 1.00 0.00 C ATOM 1170 CD GLN A 74 15.379 -19.256 -10.972 1.00 0.00 C ATOM 1171 OE1 GLN A 74 16.313 -19.487 -11.715 1.00 0.00 O ATOM 1172 NE2 GLN A 74 15.595 -19.024 -9.706 1.00 0.00 N ATOM 0 H GLN A 74 13.850 -22.014 -14.355 1.00 0.00 H new ATOM 0 HA GLN A 74 12.579 -19.495 -13.968 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.838 -20.991 -12.107 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.568 -21.126 -12.350 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.763 -18.311 -12.052 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.238 -19.262 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.812 -18.830 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.547 -19.037 -9.340 1.00 0.00 H new ATOM 1181 N GLY A 75 15.822 -19.452 -14.556 1.00 0.00 N ATOM 1182 CA GLY A 75 16.936 -18.535 -14.920 1.00 0.00 C ATOM 1183 C GLY A 75 16.619 -17.881 -16.266 1.00 0.00 C ATOM 1184 O GLY A 75 17.113 -16.816 -16.581 1.00 0.00 O ATOM 0 H GLY A 75 16.044 -20.446 -14.603 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.063 -17.773 -14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.874 -19.087 -14.981 1.00 0.00 H new ATOM 1188 N ALA A 76 15.792 -18.508 -17.061 1.00 0.00 N ATOM 1189 CA ALA A 76 15.438 -17.921 -18.382 1.00 0.00 C ATOM 1190 C ALA A 76 14.454 -16.770 -18.173 1.00 0.00 C ATOM 1191 O ALA A 76 14.773 -15.625 -18.403 1.00 0.00 O ATOM 1192 CB ALA A 76 14.792 -18.992 -19.262 1.00 0.00 C ATOM 0 H ALA A 76 15.347 -19.402 -16.850 1.00 0.00 H new ATOM 0 HA ALA A 76 16.339 -17.549 -18.870 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.533 -18.561 -20.229 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.492 -19.815 -19.407 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.889 -19.365 -18.778 1.00 0.00 H new ATOM 1198 N ALA A 77 13.262 -17.062 -17.733 1.00 0.00 N ATOM 1199 CA ALA A 77 12.268 -15.974 -17.510 1.00 0.00 C ATOM 1200 C ALA A 77 12.944 -14.814 -16.775 1.00 0.00 C ATOM 1201 O ALA A 77 12.679 -13.658 -17.041 1.00 0.00 O ATOM 1202 CB ALA A 77 11.108 -16.505 -16.666 1.00 0.00 C ATOM 0 H ALA A 77 12.933 -18.003 -17.519 1.00 0.00 H new ATOM 0 HA ALA A 77 11.887 -15.627 -18.470 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.382 -15.709 -16.504 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.628 -17.333 -17.187 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.487 -16.852 -15.705 1.00 0.00 H new ATOM 1208 N ALA A 78 13.816 -15.114 -15.850 1.00 0.00 N ATOM 1209 CA ALA A 78 14.507 -14.031 -15.096 1.00 0.00 C ATOM 1210 C ALA A 78 15.497 -13.314 -16.016 1.00 0.00 C ATOM 1211 O ALA A 78 15.637 -12.109 -15.974 1.00 0.00 O ATOM 1212 CB ALA A 78 15.260 -14.637 -13.910 1.00 0.00 C ATOM 0 H ALA A 78 14.079 -16.063 -15.585 1.00 0.00 H new ATOM 0 HA ALA A 78 13.769 -13.316 -14.733 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.766 -13.845 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.555 -15.145 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.997 -15.353 -14.274 1.00 0.00 H new ATOM 1218 N ILE A 79 16.188 -14.046 -16.848 1.00 0.00 N ATOM 1219 CA ILE A 79 17.170 -13.404 -17.766 1.00 0.00 C ATOM 1220 C ILE A 79 16.442 -12.416 -18.684 1.00 0.00 C ATOM 1221 O ILE A 79 16.853 -11.283 -18.839 1.00 0.00 O ATOM 1222 CB ILE A 79 17.864 -14.480 -18.605 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.881 -15.223 -17.735 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.591 -13.824 -19.782 1.00 0.00 C ATOM 1225 CD1 ILE A 79 19.062 -16.647 -18.263 1.00 0.00 C ATOM 0 H ILE A 79 16.114 -15.060 -16.931 1.00 0.00 H new ATOM 0 HA ILE A 79 17.918 -12.867 -17.183 1.00 0.00 H new ATOM 0 HB ILE A 79 17.120 -15.181 -18.982 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.836 -14.697 -17.743 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.540 -15.248 -16.700 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.085 -14.591 -20.378 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.871 -13.290 -20.402 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.336 -13.123 -19.405 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.786 -17.176 -17.643 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.107 -17.171 -18.232 1.00 0.00 H new ATOM 0 HD13 ILE A 79 19.422 -16.611 -19.291 1.00 0.00 H new ATOM 1237 N TYR A 80 15.363 -12.830 -19.292 1.00 0.00 N ATOM 1238 CA TYR A 80 14.616 -11.907 -20.190 1.00 0.00 C ATOM 1239 C TYR A 80 14.220 -10.658 -19.401 1.00 0.00 C ATOM 1240 O TYR A 80 14.324 -9.548 -19.882 1.00 0.00 O ATOM 1241 CB TYR A 80 13.359 -12.607 -20.708 1.00 0.00 C ATOM 1242 CG TYR A 80 13.748 -13.865 -21.445 1.00 0.00 C ATOM 1243 CD1 TYR A 80 14.770 -13.828 -22.402 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.087 -15.068 -21.175 1.00 0.00 C ATOM 1245 CE1 TYR A 80 15.131 -14.994 -23.088 1.00 0.00 C ATOM 1246 CE2 TYR A 80 13.447 -16.235 -21.860 1.00 0.00 C ATOM 1247 CZ TYR A 80 14.469 -16.198 -22.816 1.00 0.00 C ATOM 1248 OH TYR A 80 14.824 -17.348 -23.492 1.00 0.00 O ATOM 0 H TYR A 80 14.968 -13.766 -19.205 1.00 0.00 H new ATOM 0 HA TYR A 80 15.243 -11.624 -21.035 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.697 -12.850 -19.877 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.807 -11.941 -21.371 1.00 0.00 H new ATOM 0 HD1 TYR A 80 15.280 -12.899 -22.611 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.298 -15.097 -20.438 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.919 -14.965 -23.826 1.00 0.00 H new ATOM 0 HE2 TYR A 80 12.936 -17.163 -21.651 1.00 0.00 H new ATOM 0 HH TYR A 80 14.268 -18.094 -23.184 1.00 0.00 H new ATOM 1258 N THR A 81 13.771 -10.836 -18.190 1.00 0.00 N ATOM 1259 CA THR A 81 13.373 -9.664 -17.360 1.00 0.00 C ATOM 1260 C THR A 81 14.622 -8.860 -16.996 1.00 0.00 C ATOM 1261 O THR A 81 14.556 -7.681 -16.709 1.00 0.00 O ATOM 1262 CB THR A 81 12.692 -10.163 -16.082 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.384 -10.622 -16.391 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.608 -9.028 -15.059 1.00 0.00 C ATOM 0 H THR A 81 13.662 -11.744 -17.738 1.00 0.00 H new ATOM 0 HA THR A 81 12.683 -9.030 -17.917 1.00 0.00 H new ATOM 0 HB THR A 81 13.276 -10.981 -15.660 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.892 -10.792 -15.561 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.123 -9.390 -14.153 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.613 -8.680 -14.818 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.029 -8.204 -15.476 1.00 0.00 H new ATOM 1272 N THR A 82 15.760 -9.494 -17.008 1.00 0.00 N ATOM 1273 CA THR A 82 17.023 -8.782 -16.664 1.00 0.00 C ATOM 1274 C THR A 82 17.485 -7.953 -17.866 1.00 0.00 C ATOM 1275 O THR A 82 18.211 -6.990 -17.725 1.00 0.00 O ATOM 1276 CB THR A 82 18.098 -9.814 -16.300 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.857 -10.299 -14.986 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.485 -9.170 -16.360 1.00 0.00 C ATOM 0 H THR A 82 15.871 -10.480 -17.243 1.00 0.00 H new ATOM 0 HA THR A 82 16.854 -8.118 -15.816 1.00 0.00 H new ATOM 0 HB THR A 82 18.059 -10.639 -17.011 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.138 -10.965 -15.010 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.241 -9.910 -16.100 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.671 -8.800 -17.368 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.532 -8.340 -15.655 1.00 0.00 H new ATOM 1286 N GLN A 83 17.073 -8.321 -19.048 1.00 0.00 N ATOM 1287 CA GLN A 83 17.493 -7.555 -20.255 1.00 0.00 C ATOM 1288 C GLN A 83 16.485 -6.439 -20.533 1.00 0.00 C ATOM 1289 O GLN A 83 16.840 -5.371 -20.990 1.00 0.00 O ATOM 1290 CB GLN A 83 17.558 -8.496 -21.459 1.00 0.00 C ATOM 1291 CG GLN A 83 19.019 -8.817 -21.780 1.00 0.00 C ATOM 1292 CD GLN A 83 19.133 -9.291 -23.231 1.00 0.00 C ATOM 1293 OE1 GLN A 83 20.266 -9.156 -23.861 1.00 0.00 O flip ATOM 1294 NE2 GLN A 83 18.179 -9.790 -23.795 1.00 0.00 N flip ATOM 0 H GLN A 83 16.464 -9.119 -19.230 1.00 0.00 H new ATOM 0 HA GLN A 83 18.476 -7.118 -20.081 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.012 -9.415 -21.245 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.079 -8.033 -22.322 1.00 0.00 H new ATOM 0 HG2 GLN A 83 19.639 -7.934 -21.626 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.389 -9.588 -21.105 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.293 -9.895 -23.301 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.265 -10.103 -24.762 1.00 0.00 H new ATOM 1303 N MET A 84 15.231 -6.676 -20.264 1.00 0.00 N ATOM 1304 CA MET A 84 14.202 -5.627 -20.517 1.00 0.00 C ATOM 1305 C MET A 84 14.479 -4.409 -19.633 1.00 0.00 C ATOM 1306 O MET A 84 14.463 -3.283 -20.088 1.00 0.00 O ATOM 1307 CB MET A 84 12.814 -6.183 -20.192 1.00 0.00 C ATOM 1308 CG MET A 84 12.320 -7.042 -21.355 1.00 0.00 C ATOM 1309 SD MET A 84 10.536 -6.816 -21.559 1.00 0.00 S ATOM 1310 CE MET A 84 10.111 -8.561 -21.783 1.00 0.00 C ATOM 0 H MET A 84 14.874 -7.551 -19.880 1.00 0.00 H new ATOM 0 HA MET A 84 14.241 -5.331 -21.565 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.854 -6.777 -19.279 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.117 -5.365 -20.009 1.00 0.00 H new ATOM 0 HG2 MET A 84 12.839 -6.764 -22.272 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.545 -8.092 -21.167 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.224 -8.798 -21.196 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.911 -8.754 -22.837 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.942 -9.183 -21.452 1.00 0.00 H new ATOM 1320 N ASP A 85 14.730 -4.626 -18.371 1.00 0.00 N ATOM 1321 CA ASP A 85 15.004 -3.482 -17.457 1.00 0.00 C ATOM 1322 C ASP A 85 16.082 -2.582 -18.065 1.00 0.00 C ATOM 1323 O ASP A 85 15.892 -1.393 -18.228 1.00 0.00 O ATOM 1324 CB ASP A 85 15.487 -4.013 -16.106 1.00 0.00 C ATOM 1325 CG ASP A 85 15.101 -3.028 -15.002 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.775 -2.020 -14.871 1.00 0.00 O ATOM 1327 OD2 ASP A 85 14.137 -3.299 -14.304 1.00 0.00 O ATOM 0 H ASP A 85 14.757 -5.547 -17.933 1.00 0.00 H new ATOM 0 HA ASP A 85 14.089 -2.906 -17.317 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.044 -4.989 -15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.568 -4.151 -16.123 1.00 0.00 H new ATOM 1332 N GLU A 86 17.216 -3.136 -18.397 1.00 0.00 N ATOM 1333 CA GLU A 86 18.306 -2.309 -18.987 1.00 0.00 C ATOM 1334 C GLU A 86 17.990 -2.009 -20.455 1.00 0.00 C ATOM 1335 O GLU A 86 18.621 -1.177 -21.076 1.00 0.00 O ATOM 1336 CB GLU A 86 19.629 -3.069 -18.895 1.00 0.00 C ATOM 1337 CG GLU A 86 19.922 -3.408 -17.432 1.00 0.00 C ATOM 1338 CD GLU A 86 21.272 -2.809 -17.029 1.00 0.00 C ATOM 1339 OE1 GLU A 86 22.258 -3.141 -17.667 1.00 0.00 O ATOM 1340 OE2 GLU A 86 21.295 -2.029 -16.091 1.00 0.00 O ATOM 0 H GLU A 86 17.435 -4.126 -18.285 1.00 0.00 H new ATOM 0 HA GLU A 86 18.385 -1.371 -18.437 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.578 -3.982 -19.488 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.437 -2.465 -19.308 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.132 -3.015 -16.792 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.936 -4.489 -17.294 1.00 0.00 H new ATOM 1347 N TYR A 87 17.022 -2.680 -21.016 1.00 0.00 N ATOM 1348 CA TYR A 87 16.675 -2.428 -22.444 1.00 0.00 C ATOM 1349 C TYR A 87 15.493 -1.460 -22.522 1.00 0.00 C ATOM 1350 O TYR A 87 15.070 -1.068 -23.592 1.00 0.00 O ATOM 1351 CB TYR A 87 16.296 -3.748 -23.121 1.00 0.00 C ATOM 1352 CG TYR A 87 17.549 -4.494 -23.517 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.735 -4.306 -22.799 1.00 0.00 C ATOM 1354 CD2 TYR A 87 17.521 -5.376 -24.604 1.00 0.00 C ATOM 1355 CE1 TYR A 87 19.896 -4.998 -23.169 1.00 0.00 C ATOM 1356 CE2 TYR A 87 18.681 -6.069 -24.974 1.00 0.00 C ATOM 1357 CZ TYR A 87 19.868 -5.879 -24.256 1.00 0.00 C ATOM 1358 OH TYR A 87 21.010 -6.562 -24.620 1.00 0.00 O ATOM 0 H TYR A 87 16.457 -3.390 -20.549 1.00 0.00 H new ATOM 0 HA TYR A 87 17.536 -1.993 -22.952 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.697 -4.357 -22.444 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.683 -3.554 -24.001 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.756 -3.627 -21.959 1.00 0.00 H new ATOM 0 HD2 TYR A 87 16.605 -5.522 -25.157 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.812 -4.852 -22.616 1.00 0.00 H new ATOM 0 HE2 TYR A 87 18.660 -6.749 -25.812 1.00 0.00 H new ATOM 0 HH TYR A 87 20.897 -7.516 -24.425 1.00 0.00 H new ATOM 1368 N LEU A 88 14.955 -1.069 -21.398 1.00 0.00 N ATOM 1369 CA LEU A 88 13.801 -0.128 -21.414 1.00 0.00 C ATOM 1370 C LEU A 88 14.255 1.248 -20.919 1.00 0.00 C ATOM 1371 O LEU A 88 13.455 2.136 -20.704 1.00 0.00 O ATOM 1372 CB LEU A 88 12.697 -0.659 -20.498 1.00 0.00 C ATOM 1373 CG LEU A 88 11.833 -1.660 -21.267 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.317 -2.732 -20.306 1.00 0.00 C ATOM 1375 CD2 LEU A 88 10.646 -0.926 -21.899 1.00 0.00 C ATOM 0 H LEU A 88 15.265 -1.361 -20.471 1.00 0.00 H new ATOM 0 HA LEU A 88 13.420 -0.040 -22.431 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.135 -1.138 -19.623 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.082 0.165 -20.136 1.00 0.00 H new ATOM 0 HG LEU A 88 12.429 -2.131 -22.049 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.701 -3.446 -20.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.161 -3.253 -19.855 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.720 -2.263 -19.524 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.029 -1.637 -22.448 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.050 -0.456 -21.116 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.014 -0.161 -22.583 1.00 0.00 H new ATOM 1387 N GLY A 89 15.535 1.430 -20.735 1.00 0.00 N ATOM 1388 CA GLY A 89 16.037 2.750 -20.254 1.00 0.00 C ATOM 1389 C GLY A 89 16.445 2.638 -18.783 1.00 0.00 C ATOM 1390 O GLY A 89 16.832 3.610 -18.163 1.00 0.00 O ATOM 0 H GLY A 89 16.253 0.724 -20.896 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.889 3.068 -20.855 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.264 3.509 -20.371 1.00 0.00 H new ATOM 1394 N SER A 90 16.362 1.465 -18.218 1.00 0.00 N ATOM 1395 CA SER A 90 16.745 1.297 -16.788 1.00 0.00 C ATOM 1396 C SER A 90 15.646 1.871 -15.890 1.00 0.00 C ATOM 1397 O SER A 90 15.743 1.841 -14.679 1.00 0.00 O ATOM 1398 CB SER A 90 18.056 2.036 -16.523 1.00 0.00 C ATOM 1399 OG SER A 90 17.770 3.329 -16.005 1.00 0.00 O ATOM 0 H SER A 90 16.045 0.615 -18.685 1.00 0.00 H new ATOM 0 HA SER A 90 16.873 0.237 -16.570 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.666 1.475 -15.815 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.632 2.120 -17.444 1.00 0.00 H new ATOM 0 HG SER A 90 17.411 3.895 -16.719 1.00 0.00 H new ATOM 1405 N VAL A 91 14.600 2.393 -16.470 1.00 0.00 N ATOM 1406 CA VAL A 91 13.499 2.967 -15.646 1.00 0.00 C ATOM 1407 C VAL A 91 12.505 1.861 -15.285 1.00 0.00 C ATOM 1408 O VAL A 91 11.396 2.123 -14.865 1.00 0.00 O ATOM 1409 CB VAL A 91 12.782 4.059 -16.442 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.814 5.013 -17.043 1.00 0.00 C ATOM 1411 CG2 VAL A 91 11.967 3.416 -17.567 1.00 0.00 C ATOM 0 H VAL A 91 14.460 2.447 -17.479 1.00 0.00 H new ATOM 0 HA VAL A 91 13.912 3.396 -14.733 1.00 0.00 H new ATOM 0 HB VAL A 91 12.117 4.614 -15.781 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.303 5.791 -17.610 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.396 5.470 -16.243 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.479 4.459 -17.705 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.455 4.193 -18.135 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.633 2.862 -18.228 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.231 2.735 -17.140 1.00 0.00 H new ATOM 1421 N ALA A 92 12.895 0.627 -15.447 1.00 0.00 N ATOM 1422 CA ALA A 92 11.975 -0.497 -15.113 1.00 0.00 C ATOM 1423 C ALA A 92 12.336 -1.064 -13.740 1.00 0.00 C ATOM 1424 O ALA A 92 13.262 -0.615 -13.094 1.00 0.00 O ATOM 1425 CB ALA A 92 12.111 -1.596 -16.169 1.00 0.00 C ATOM 0 H ALA A 92 13.812 0.348 -15.797 1.00 0.00 H new ATOM 0 HA ALA A 92 10.948 -0.132 -15.095 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.439 -2.419 -15.926 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.853 -1.193 -17.148 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.138 -1.960 -16.186 1.00 0.00 H new ATOM 1431 N VAL A 93 11.613 -2.052 -13.290 1.00 0.00 N ATOM 1432 CA VAL A 93 11.913 -2.655 -11.960 1.00 0.00 C ATOM 1433 C VAL A 93 11.867 -4.178 -12.079 1.00 0.00 C ATOM 1434 O VAL A 93 11.543 -4.719 -13.116 1.00 0.00 O ATOM 1435 CB VAL A 93 10.867 -2.190 -10.945 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.363 -2.484 -9.528 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.639 -0.685 -11.101 1.00 0.00 C ATOM 0 H VAL A 93 10.826 -2.469 -13.787 1.00 0.00 H new ATOM 0 HA VAL A 93 12.903 -2.343 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 93 9.931 -2.721 -11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.617 -2.152 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.527 -3.556 -9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.299 -1.954 -9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.894 -0.353 -10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.575 -0.155 -10.926 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.285 -0.473 -12.110 1.00 0.00 H new ATOM 1447 N GLN A 94 12.187 -4.880 -11.027 1.00 0.00 N ATOM 1448 CA GLN A 94 12.154 -6.367 -11.097 1.00 0.00 C ATOM 1449 C GLN A 94 11.256 -6.911 -9.984 1.00 0.00 C ATOM 1450 O GLN A 94 11.373 -6.531 -8.836 1.00 0.00 O ATOM 1451 CB GLN A 94 13.571 -6.921 -10.929 1.00 0.00 C ATOM 1452 CG GLN A 94 13.543 -8.444 -11.062 1.00 0.00 C ATOM 1453 CD GLN A 94 14.926 -9.011 -10.738 1.00 0.00 C ATOM 1454 OE1 GLN A 94 15.411 -8.865 -9.633 1.00 0.00 O ATOM 1455 NE2 GLN A 94 15.585 -9.658 -11.659 1.00 0.00 N ATOM 0 H GLN A 94 12.468 -4.491 -10.127 1.00 0.00 H new ATOM 0 HA GLN A 94 11.759 -6.675 -12.065 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.232 -6.492 -11.682 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.970 -6.638 -9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.799 -8.865 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.251 -8.726 -12.074 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.178 -9.781 -12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.507 -10.041 -11.452 1.00 0.00 H new ATOM 1464 N HIS A 95 10.355 -7.794 -10.317 1.00 0.00 N ATOM 1465 CA HIS A 95 9.443 -8.359 -9.282 1.00 0.00 C ATOM 1466 C HIS A 95 9.434 -9.885 -9.377 1.00 0.00 C ATOM 1467 O HIS A 95 9.615 -10.450 -10.436 1.00 0.00 O ATOM 1468 CB HIS A 95 8.031 -7.831 -9.517 1.00 0.00 C ATOM 1469 CG HIS A 95 8.108 -6.392 -9.936 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.978 -5.790 -11.160 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.362 -5.369 -9.036 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.151 -4.416 -11.029 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.379 -4.215 -9.728 1.00 0.00 N flip ATOM 0 H HIS A 95 10.211 -8.149 -11.262 1.00 0.00 H new ATOM 0 HA HIS A 95 9.790 -8.062 -8.292 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.532 -8.420 -10.286 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.438 -7.927 -8.608 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.518 -5.478 -7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.110 -3.672 -11.811 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.545 -3.299 -9.311 1.00 0.00 H new ATOM 1481 N ARG A 96 9.221 -10.555 -8.277 1.00 0.00 N ATOM 1482 CA ARG A 96 9.201 -12.046 -8.302 1.00 0.00 C ATOM 1483 C ARG A 96 7.774 -12.549 -8.076 1.00 0.00 C ATOM 1484 O ARG A 96 7.067 -12.069 -7.213 1.00 0.00 O ATOM 1485 CB ARG A 96 10.106 -12.581 -7.192 1.00 0.00 C ATOM 1486 CG ARG A 96 9.462 -12.308 -5.832 1.00 0.00 C ATOM 1487 CD ARG A 96 10.552 -12.204 -4.763 1.00 0.00 C ATOM 1488 NE ARG A 96 11.401 -13.429 -4.800 1.00 0.00 N ATOM 1489 CZ ARG A 96 12.596 -13.410 -4.275 1.00 0.00 C ATOM 1490 NH1 ARG A 96 12.813 -12.750 -3.171 1.00 0.00 N ATOM 1491 NH2 ARG A 96 13.572 -14.051 -4.856 1.00 0.00 N ATOM 0 H ARG A 96 9.060 -10.134 -7.362 1.00 0.00 H new ATOM 0 HA ARG A 96 9.557 -12.395 -9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.265 -13.651 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.085 -12.104 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.885 -11.384 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.766 -13.108 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.164 -11.319 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.100 -12.091 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 96 11.048 -14.281 -5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.049 -12.249 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.747 -12.735 -2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.401 -14.566 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.506 -14.037 -4.447 1.00 0.00 H new ATOM 1505 N GLU A 97 7.348 -13.519 -8.839 1.00 0.00 N ATOM 1506 CA GLU A 97 5.970 -14.052 -8.657 1.00 0.00 C ATOM 1507 C GLU A 97 5.986 -15.577 -8.800 1.00 0.00 C ATOM 1508 O GLU A 97 6.951 -16.158 -9.255 1.00 0.00 O ATOM 1509 CB GLU A 97 5.042 -13.452 -9.711 1.00 0.00 C ATOM 1510 CG GLU A 97 5.223 -11.933 -9.749 1.00 0.00 C ATOM 1511 CD GLU A 97 4.449 -11.296 -8.594 1.00 0.00 C ATOM 1512 OE1 GLU A 97 3.238 -11.200 -8.702 1.00 0.00 O ATOM 1513 OE2 GLU A 97 5.080 -10.916 -7.622 1.00 0.00 O ATOM 0 H GLU A 97 7.893 -13.963 -9.578 1.00 0.00 H new ATOM 0 HA GLU A 97 5.610 -13.784 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.262 -13.879 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.006 -13.699 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.281 -11.681 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.867 -11.538 -10.700 1.00 0.00 H new ATOM 1520 N VAL A 98 4.927 -16.228 -8.401 1.00 0.00 N ATOM 1521 CA VAL A 98 4.878 -17.714 -8.495 1.00 0.00 C ATOM 1522 C VAL A 98 3.415 -18.167 -8.561 1.00 0.00 C ATOM 1523 O VAL A 98 2.511 -17.358 -8.591 1.00 0.00 O ATOM 1524 CB VAL A 98 5.536 -18.295 -7.244 1.00 0.00 C ATOM 1525 CG1 VAL A 98 5.951 -19.740 -7.498 1.00 0.00 C ATOM 1526 CG2 VAL A 98 6.776 -17.470 -6.887 1.00 0.00 C ATOM 0 H VAL A 98 4.091 -15.792 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 98 5.401 -18.057 -9.388 1.00 0.00 H new ATOM 0 HB VAL A 98 4.823 -18.263 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.419 -20.147 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.071 -20.333 -7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.660 -19.775 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.245 -17.885 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.484 -17.499 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.484 -16.437 -6.696 1.00 0.00 H new ATOM 1536 N GLN A 99 3.169 -19.453 -8.575 1.00 0.00 N ATOM 1537 CA GLN A 99 1.758 -19.941 -8.638 1.00 0.00 C ATOM 1538 C GLN A 99 1.020 -19.602 -7.342 1.00 0.00 C ATOM 1539 O GLN A 99 -0.168 -19.820 -7.211 1.00 0.00 O ATOM 1540 CB GLN A 99 1.743 -21.455 -8.858 1.00 0.00 C ATOM 1541 CG GLN A 99 2.748 -22.119 -7.914 1.00 0.00 C ATOM 1542 CD GLN A 99 2.023 -23.136 -7.030 1.00 0.00 C ATOM 1543 OE1 GLN A 99 1.179 -23.873 -7.498 1.00 0.00 O ATOM 1544 NE2 GLN A 99 2.319 -23.205 -5.761 1.00 0.00 N ATOM 0 H GLN A 99 3.881 -20.183 -8.546 1.00 0.00 H new ATOM 0 HA GLN A 99 1.254 -19.449 -9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.743 -21.849 -8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.994 -21.685 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.531 -22.614 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.235 -21.365 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.028 -22.586 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.841 -23.878 -5.162 1.00 0.00 H new ATOM 1553 N GLY A 100 1.716 -19.057 -6.398 1.00 0.00 N ATOM 1554 CA GLY A 100 1.080 -18.675 -5.106 1.00 0.00 C ATOM 1555 C GLY A 100 1.659 -17.332 -4.659 1.00 0.00 C ATOM 1556 O GLY A 100 1.515 -16.924 -3.524 1.00 0.00 O ATOM 0 H GLY A 100 2.714 -18.854 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.001 -18.601 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.268 -19.439 -4.351 1.00 0.00 H new ATOM 1560 N HIS A 101 2.324 -16.649 -5.552 1.00 0.00 N ATOM 1561 CA HIS A 101 2.932 -15.336 -5.203 1.00 0.00 C ATOM 1562 C HIS A 101 2.399 -14.253 -6.145 1.00 0.00 C ATOM 1563 O HIS A 101 2.455 -13.075 -5.852 1.00 0.00 O ATOM 1564 CB HIS A 101 4.450 -15.443 -5.364 1.00 0.00 C ATOM 1565 CG HIS A 101 5.044 -16.069 -4.133 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.472 -17.347 -3.868 1.00 0.00 N flip ATOM 1567 CD2 HIS A 101 5.261 -15.348 -2.968 1.00 0.00 C flip ATOM 1568 CE1 HIS A 101 5.947 -17.420 -2.561 1.00 0.00 C flip ATOM 1569 NE2 HIS A 101 5.796 -16.189 -2.066 1.00 0.00 N flip ATOM 0 H HIS A 101 2.472 -16.949 -6.516 1.00 0.00 H new ATOM 0 HA HIS A 101 2.679 -15.073 -4.176 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.692 -16.042 -6.242 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.880 -14.454 -5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.040 -14.302 -2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.350 -18.286 -2.057 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.056 -15.919 -1.117 1.00 0.00 H new ATOM 1577 N GLU A 102 1.898 -14.645 -7.284 1.00 0.00 N ATOM 1578 CA GLU A 102 1.377 -13.649 -8.263 1.00 0.00 C ATOM 1579 C GLU A 102 -0.115 -13.386 -8.014 1.00 0.00 C ATOM 1580 O GLU A 102 -0.789 -12.745 -8.792 1.00 0.00 O ATOM 1581 CB GLU A 102 1.620 -14.202 -9.682 1.00 0.00 C ATOM 1582 CG GLU A 102 0.343 -14.831 -10.274 1.00 0.00 C ATOM 1583 CD GLU A 102 -0.112 -16.021 -9.418 1.00 0.00 C ATOM 1584 OE1 GLU A 102 -0.053 -15.918 -8.205 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -0.515 -17.016 -9.996 1.00 0.00 O ATOM 0 H GLU A 102 1.827 -15.618 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 102 1.895 -12.696 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.965 -13.398 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.413 -14.949 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.450 -14.084 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.532 -15.161 -11.296 1.00 0.00 H new ATOM 1592 N SER A 103 -0.630 -13.892 -6.943 1.00 0.00 N ATOM 1593 CA SER A 103 -2.080 -13.704 -6.650 1.00 0.00 C ATOM 1594 C SER A 103 -2.450 -12.213 -6.606 1.00 0.00 C ATOM 1595 O SER A 103 -3.258 -11.747 -7.386 1.00 0.00 O ATOM 1596 CB SER A 103 -2.416 -14.357 -5.306 1.00 0.00 C ATOM 1597 OG SER A 103 -2.478 -13.364 -4.293 1.00 0.00 O ATOM 0 H SER A 103 -0.114 -14.432 -6.249 1.00 0.00 H new ATOM 0 HA SER A 103 -2.656 -14.173 -7.448 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.369 -14.881 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.661 -15.101 -5.053 1.00 0.00 H new ATOM 0 HG SER A 103 -2.695 -13.785 -3.435 1.00 0.00 H new ATOM 1603 N GLU A 104 -1.896 -11.468 -5.687 1.00 0.00 N ATOM 1604 CA GLU A 104 -2.259 -10.023 -5.577 1.00 0.00 C ATOM 1605 C GLU A 104 -1.586 -9.184 -6.668 1.00 0.00 C ATOM 1606 O GLU A 104 -2.241 -8.462 -7.391 1.00 0.00 O ATOM 1607 CB GLU A 104 -1.825 -9.503 -4.205 1.00 0.00 C ATOM 1608 CG GLU A 104 -2.955 -9.718 -3.197 1.00 0.00 C ATOM 1609 CD GLU A 104 -2.398 -10.398 -1.944 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -1.232 -10.193 -1.652 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -3.149 -11.110 -1.298 1.00 0.00 O ATOM 0 H GLU A 104 -1.209 -11.796 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.338 -9.934 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.925 -10.023 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.576 -8.444 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.409 -8.763 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.739 -10.332 -3.639 1.00 0.00 H new ATOM 1618 N THR A 105 -0.289 -9.238 -6.772 1.00 0.00 N ATOM 1619 CA THR A 105 0.414 -8.408 -7.794 1.00 0.00 C ATOM 1620 C THR A 105 -0.035 -8.780 -9.211 1.00 0.00 C ATOM 1621 O THR A 105 -0.411 -7.929 -9.995 1.00 0.00 O ATOM 1622 CB THR A 105 1.923 -8.626 -7.668 1.00 0.00 C ATOM 1623 OG1 THR A 105 2.230 -9.039 -6.343 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.658 -7.322 -7.981 1.00 0.00 C ATOM 0 H THR A 105 0.317 -9.820 -6.194 1.00 0.00 H new ATOM 0 HA THR A 105 0.167 -7.361 -7.619 1.00 0.00 H new ATOM 0 HB THR A 105 2.239 -9.395 -8.372 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.196 -9.181 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.733 -7.479 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.422 -7.006 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.344 -6.550 -7.279 1.00 0.00 H new ATOM 1632 N PHE A 106 0.022 -10.033 -9.559 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.379 -10.438 -10.936 1.00 0.00 C ATOM 1634 C PHE A 106 -1.872 -10.159 -11.120 1.00 0.00 C ATOM 1635 O PHE A 106 -2.278 -9.459 -12.031 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.110 -11.930 -11.106 1.00 0.00 C ATOM 1637 CG PHE A 106 0.547 -12.198 -12.438 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.717 -11.510 -12.785 1.00 0.00 C ATOM 1639 CD2 PHE A 106 0.010 -13.150 -13.312 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.350 -11.775 -14.004 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.642 -13.411 -14.536 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.813 -12.724 -14.880 1.00 0.00 C ATOM 0 H PHE A 106 0.328 -10.794 -8.953 1.00 0.00 H new ATOM 0 HA PHE A 106 0.189 -9.877 -11.678 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.531 -12.285 -10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.046 -12.485 -11.037 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.131 -10.774 -12.111 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.890 -13.683 -13.044 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.254 -11.247 -14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.226 -14.142 -15.214 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.301 -12.927 -15.822 1.00 0.00 H new ATOM 1652 N ARG A 107 -2.696 -10.689 -10.255 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.157 -10.439 -10.382 1.00 0.00 C ATOM 1654 C ARG A 107 -4.410 -8.938 -10.245 1.00 0.00 C ATOM 1655 O ARG A 107 -5.450 -8.434 -10.620 1.00 0.00 O ATOM 1656 CB ARG A 107 -4.905 -11.190 -9.277 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.375 -11.348 -9.670 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.191 -11.744 -8.439 1.00 0.00 C ATOM 1659 NE ARG A 107 -7.725 -13.124 -8.620 1.00 0.00 N ATOM 1660 CZ ARG A 107 -8.334 -13.723 -7.634 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -7.778 -13.769 -6.454 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -9.501 -14.275 -7.827 1.00 0.00 N ATOM 0 H ARG A 107 -2.420 -11.281 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.512 -10.789 -11.351 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.453 -12.169 -9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.826 -10.646 -8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.754 -10.414 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.476 -12.107 -10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.568 -11.698 -7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.011 -11.041 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.614 -13.600 -9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.867 -13.336 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.255 -14.237 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.937 -14.238 -8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.977 -14.743 -7.056 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.457 -8.216 -9.717 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.632 -6.746 -9.567 1.00 0.00 C ATOM 1678 C ALA A 108 -3.697 -6.121 -10.957 1.00 0.00 C ATOM 1679 O ALA A 108 -4.679 -5.512 -11.331 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.449 -6.158 -8.794 1.00 0.00 C ATOM 0 H ALA A 108 -2.566 -8.583 -9.384 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.550 -6.536 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.583 -5.082 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.396 -6.617 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.525 -6.357 -9.337 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.662 -6.286 -11.736 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.676 -5.718 -13.111 1.00 0.00 C ATOM 1688 C TYR A 109 -3.790 -6.398 -13.908 1.00 0.00 C ATOM 1689 O TYR A 109 -4.203 -5.927 -14.949 1.00 0.00 O ATOM 1690 CB TYR A 109 -1.333 -5.981 -13.794 1.00 0.00 C ATOM 1691 CG TYR A 109 -0.203 -5.606 -12.865 1.00 0.00 C ATOM 1692 CD1 TYR A 109 -0.269 -4.422 -12.121 1.00 0.00 C ATOM 1693 CD2 TYR A 109 0.913 -6.444 -12.750 1.00 0.00 C ATOM 1694 CE1 TYR A 109 0.780 -4.076 -11.262 1.00 0.00 C ATOM 1695 CE2 TYR A 109 1.963 -6.097 -11.891 1.00 0.00 C ATOM 1696 CZ TYR A 109 1.896 -4.914 -11.146 1.00 0.00 C ATOM 1697 OH TYR A 109 2.931 -4.571 -10.300 1.00 0.00 O ATOM 0 H TYR A 109 -1.812 -6.788 -11.480 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.847 -4.643 -13.064 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.255 -7.033 -14.070 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -1.265 -5.404 -14.716 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.130 -3.776 -12.210 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.964 -7.358 -13.324 1.00 0.00 H new ATOM 0 HE1 TYR A 109 0.729 -3.162 -10.688 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.825 -6.742 -11.803 1.00 0.00 H new ATOM 0 HH TYR A 109 3.640 -5.245 -10.361 1.00 0.00 H new ATOM 1707 N PHE A 110 -4.277 -7.508 -13.421 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.361 -8.230 -14.137 1.00 0.00 C ATOM 1709 C PHE A 110 -6.671 -8.078 -13.367 1.00 0.00 C ATOM 1710 O PHE A 110 -6.921 -8.772 -12.402 1.00 0.00 O ATOM 1711 CB PHE A 110 -5.013 -9.713 -14.225 1.00 0.00 C ATOM 1712 CG PHE A 110 -4.018 -9.945 -15.336 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.656 -9.708 -15.115 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -4.455 -10.412 -16.580 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.732 -9.937 -16.142 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -3.531 -10.644 -17.605 1.00 0.00 C ATOM 1717 CZ PHE A 110 -2.169 -10.406 -17.386 1.00 0.00 C ATOM 0 H PHE A 110 -3.967 -7.945 -12.553 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.468 -7.813 -15.138 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.598 -10.054 -13.277 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.916 -10.297 -14.406 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.318 -9.349 -14.154 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -5.506 -10.594 -16.750 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.681 -9.752 -15.974 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.869 -11.007 -18.565 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.456 -10.584 -18.177 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.512 -7.179 -13.789 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.811 -6.986 -13.086 1.00 0.00 C ATOM 1729 C LYS A 111 -9.762 -8.139 -13.431 1.00 0.00 C ATOM 1730 O LYS A 111 -10.894 -8.171 -12.993 1.00 0.00 O ATOM 1731 CB LYS A 111 -9.437 -5.661 -13.529 1.00 0.00 C ATOM 1732 CG LYS A 111 -8.629 -4.496 -12.955 1.00 0.00 C ATOM 1733 CD LYS A 111 -9.553 -3.299 -12.724 1.00 0.00 C ATOM 1734 CE LYS A 111 -10.666 -3.692 -11.750 1.00 0.00 C ATOM 1735 NZ LYS A 111 -10.577 -2.844 -10.528 1.00 0.00 N ATOM 0 H LYS A 111 -7.357 -6.568 -14.591 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.640 -6.969 -12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.457 -5.602 -14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.471 -5.603 -13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.159 -4.793 -12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.827 -4.223 -13.641 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.985 -2.460 -12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.983 -2.970 -13.670 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.640 -3.566 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.575 -4.745 -11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.333 -3.110 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.652 -2.986 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.684 -1.844 -10.791 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.315 -9.085 -14.216 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.198 -10.227 -14.588 1.00 0.00 C ATOM 1751 C GLN A 112 -10.082 -11.337 -13.538 1.00 0.00 C ATOM 1752 O GLN A 112 -10.904 -11.453 -12.651 1.00 0.00 O ATOM 1753 CB GLN A 112 -9.776 -10.773 -15.953 1.00 0.00 C ATOM 1754 CG GLN A 112 -10.924 -10.599 -16.950 1.00 0.00 C ATOM 1755 CD GLN A 112 -10.888 -11.737 -17.972 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -11.221 -12.862 -17.658 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -10.497 -11.489 -19.192 1.00 0.00 N ATOM 0 H GLN A 112 -8.377 -9.115 -14.615 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.231 -9.882 -14.634 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.889 -10.248 -16.308 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.510 -11.827 -15.869 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.879 -10.598 -16.425 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.837 -9.638 -17.457 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.217 -10.544 -19.456 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.471 -12.240 -19.882 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.068 -12.155 -13.632 1.00 0.00 N ATOM 1767 CA GLY A 113 -8.907 -13.258 -12.638 1.00 0.00 C ATOM 1768 C GLY A 113 -7.678 -14.104 -12.987 1.00 0.00 C ATOM 1769 O GLY A 113 -7.043 -14.667 -12.120 1.00 0.00 O ATOM 0 H GLY A 113 -8.346 -12.108 -14.351 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.800 -12.843 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.799 -13.884 -12.630 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.345 -14.195 -14.249 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.157 -15.000 -14.676 1.00 0.00 C ATOM 1775 C LEU A 114 -6.525 -16.481 -14.766 1.00 0.00 C ATOM 1776 O LEU A 114 -6.720 -17.145 -13.768 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.005 -14.836 -13.678 1.00 0.00 C ATOM 1778 CG LEU A 114 -4.773 -13.353 -13.398 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.573 -13.190 -12.462 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -4.484 -12.635 -14.714 1.00 0.00 C ATOM 0 H LEU A 114 -7.850 -13.742 -15.011 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.842 -14.638 -15.655 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.238 -15.359 -12.750 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.097 -15.287 -14.079 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.660 -12.927 -12.929 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.408 -12.131 -12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.770 -13.709 -11.524 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.685 -13.613 -12.932 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.317 -11.575 -14.521 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.594 -13.064 -15.175 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.334 -12.752 -15.387 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.596 -17.010 -15.957 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.920 -18.454 -16.113 1.00 0.00 C ATOM 1794 C ILE A 115 -5.602 -19.237 -16.129 1.00 0.00 C ATOM 1795 O ILE A 115 -4.533 -18.661 -16.170 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.717 -18.663 -17.423 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -9.129 -19.146 -17.075 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -7.037 -19.701 -18.332 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.815 -19.693 -18.330 1.00 0.00 C ATOM 0 H ILE A 115 -6.443 -16.503 -16.829 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.537 -18.810 -15.288 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.757 -17.714 -17.958 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.080 -19.921 -16.310 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.712 -18.324 -16.660 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.622 -19.825 -19.244 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.034 -19.359 -18.588 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.973 -20.656 -17.810 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.818 -20.035 -18.076 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.879 -18.906 -19.082 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.237 -20.528 -18.726 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.663 -20.537 -16.101 1.00 0.00 N ATOM 1812 CA TYR A 116 -4.403 -21.325 -16.119 1.00 0.00 C ATOM 1813 C TYR A 116 -4.639 -22.673 -16.804 1.00 0.00 C ATOM 1814 O TYR A 116 -5.507 -23.434 -16.423 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.920 -21.556 -14.687 1.00 0.00 C ATOM 1816 CG TYR A 116 -4.247 -20.349 -13.840 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -5.485 -20.261 -13.193 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -3.307 -19.322 -13.696 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -5.784 -19.145 -12.403 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -3.607 -18.204 -12.907 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.845 -18.116 -12.260 1.00 0.00 C ATOM 1822 OH TYR A 116 -5.140 -17.016 -11.482 1.00 0.00 O ATOM 0 H TYR A 116 -6.523 -21.084 -16.067 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.645 -20.771 -16.673 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -4.396 -22.444 -14.271 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.845 -21.737 -14.680 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.210 -21.054 -13.303 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -2.351 -19.391 -14.193 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.739 -19.077 -11.904 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -2.883 -17.410 -12.798 1.00 0.00 H new ATOM 0 HH TYR A 116 -6.082 -16.774 -11.601 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.865 -22.972 -17.810 1.00 0.00 N ATOM 1833 CA LYS A 117 -4.030 -24.267 -18.526 1.00 0.00 C ATOM 1834 C LYS A 117 -2.880 -25.203 -18.150 1.00 0.00 C ATOM 1835 O LYS A 117 -2.180 -24.977 -17.187 1.00 0.00 O ATOM 1836 CB LYS A 117 -4.020 -24.017 -20.032 1.00 0.00 C ATOM 1837 CG LYS A 117 -5.047 -22.937 -20.388 1.00 0.00 C ATOM 1838 CD LYS A 117 -6.366 -23.205 -19.658 1.00 0.00 C ATOM 1839 CE LYS A 117 -7.023 -24.462 -20.230 1.00 0.00 C ATOM 1840 NZ LYS A 117 -6.924 -25.571 -19.239 1.00 0.00 N ATOM 0 H LYS A 117 -3.122 -22.372 -18.168 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.977 -24.726 -18.243 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.026 -23.705 -20.351 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.250 -24.940 -20.564 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.663 -21.954 -20.113 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.214 -22.924 -21.465 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.183 -23.331 -18.591 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -7.034 -22.351 -19.768 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.068 -24.263 -20.466 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.535 -24.748 -21.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.699 -26.246 -19.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.012 -26.058 -19.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.991 -25.183 -18.276 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.680 -26.258 -18.890 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.572 -27.199 -18.553 1.00 0.00 C ATOM 1856 C GLN A 118 -0.296 -26.800 -19.298 1.00 0.00 C ATOM 1857 O GLN A 118 -0.332 -26.055 -20.257 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.971 -28.622 -18.948 1.00 0.00 C ATOM 1859 CG GLN A 118 -1.325 -29.620 -17.984 1.00 0.00 C ATOM 1860 CD GLN A 118 -2.366 -30.097 -16.969 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -3.372 -29.448 -16.763 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -2.164 -31.212 -16.323 1.00 0.00 N ATOM 0 H GLN A 118 -3.232 -26.510 -19.710 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.385 -27.156 -17.480 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.056 -28.727 -18.924 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.653 -28.830 -19.970 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.925 -30.470 -18.537 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.486 -29.153 -17.468 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.319 -31.756 -16.497 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.851 -31.540 -15.644 1.00 0.00 H new ATOM 1871 N GLY A 119 0.832 -27.298 -18.864 1.00 0.00 N ATOM 1872 CA GLY A 119 2.115 -26.958 -19.543 1.00 0.00 C ATOM 1873 C GLY A 119 2.226 -27.753 -20.845 1.00 0.00 C ATOM 1874 O GLY A 119 1.234 -28.134 -21.433 1.00 0.00 O ATOM 0 H GLY A 119 0.919 -27.927 -18.066 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.157 -25.889 -19.752 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.957 -27.188 -18.890 1.00 0.00 H new ATOM 1878 N GLY A 120 3.423 -28.010 -21.302 1.00 0.00 N ATOM 1879 CA GLY A 120 3.583 -28.782 -22.567 1.00 0.00 C ATOM 1880 C GLY A 120 2.749 -28.127 -23.669 1.00 0.00 C ATOM 1881 O GLY A 120 1.548 -28.291 -23.735 1.00 0.00 O ATOM 0 H GLY A 120 4.293 -27.720 -20.856 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.633 -28.811 -22.858 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.265 -29.814 -22.419 1.00 0.00 H new ATOM 1885 N VAL A 121 3.377 -27.381 -24.535 1.00 0.00 N ATOM 1886 CA VAL A 121 2.627 -26.713 -25.629 1.00 0.00 C ATOM 1887 C VAL A 121 2.583 -27.637 -26.848 1.00 0.00 C ATOM 1888 O VAL A 121 2.445 -28.838 -26.724 1.00 0.00 O ATOM 1889 CB VAL A 121 3.325 -25.398 -25.989 1.00 0.00 C ATOM 1890 CG1 VAL A 121 2.298 -24.410 -26.542 1.00 0.00 C ATOM 1891 CG2 VAL A 121 3.975 -24.803 -24.739 1.00 0.00 C ATOM 0 H VAL A 121 4.382 -27.206 -24.530 1.00 0.00 H new ATOM 0 HA VAL A 121 1.608 -26.500 -25.306 1.00 0.00 H new ATOM 0 HB VAL A 121 4.090 -25.591 -26.741 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.795 -23.474 -26.798 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.833 -24.830 -27.434 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.533 -24.220 -25.789 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.471 -23.867 -24.997 1.00 0.00 H new ATOM 0 HG22 VAL A 121 3.210 -24.612 -23.987 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.708 -25.505 -24.341 1.00 0.00 H new ATOM 1901 N ALA A 122 2.699 -27.087 -28.021 1.00 0.00 N ATOM 1902 CA ALA A 122 2.664 -27.931 -29.248 1.00 0.00 C ATOM 1903 C ALA A 122 3.921 -28.801 -29.306 1.00 0.00 C ATOM 1904 O ALA A 122 3.895 -29.915 -29.789 1.00 0.00 O ATOM 1905 CB ALA A 122 2.609 -27.031 -30.484 1.00 0.00 C ATOM 0 H ALA A 122 2.817 -26.087 -28.186 1.00 0.00 H new ATOM 0 HA ALA A 122 1.781 -28.570 -29.224 1.00 0.00 H new ATOM 0 HB1 ALA A 122 2.583 -27.648 -31.382 1.00 0.00 H new ATOM 0 HB2 ALA A 122 1.713 -26.412 -30.443 1.00 0.00 H new ATOM 0 HB3 ALA A 122 3.491 -26.392 -30.508 1.00 0.00 H new ATOM 1911 N SER A 123 5.022 -28.299 -28.817 1.00 0.00 N ATOM 1912 CA SER A 123 6.280 -29.099 -28.844 1.00 0.00 C ATOM 1913 C SER A 123 6.566 -29.644 -27.443 1.00 0.00 C ATOM 1914 O SER A 123 7.701 -29.726 -27.019 1.00 0.00 O ATOM 1915 CB SER A 123 7.440 -28.208 -29.290 1.00 0.00 C ATOM 1916 OG SER A 123 7.413 -28.078 -30.706 1.00 0.00 O ATOM 0 H SER A 123 5.105 -27.372 -28.401 1.00 0.00 H new ATOM 0 HA SER A 123 6.169 -29.929 -29.542 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.362 -27.227 -28.821 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.389 -28.639 -28.971 1.00 0.00 H new ATOM 0 HG SER A 123 8.154 -27.506 -30.996 1.00 0.00 H new ATOM 1922 N GLY A 124 5.545 -30.019 -26.722 1.00 0.00 N ATOM 1923 CA GLY A 124 5.761 -30.560 -25.350 1.00 0.00 C ATOM 1924 C GLY A 124 5.500 -32.067 -25.347 1.00 0.00 C ATOM 1925 O GLY A 124 6.338 -32.850 -24.945 1.00 0.00 O ATOM 0 H GLY A 124 4.572 -29.974 -27.023 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.781 -30.357 -25.024 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.096 -30.064 -24.643 1.00 0.00 H new ATOM 1929 N MET A 125 4.346 -32.481 -25.794 1.00 0.00 N ATOM 1930 CA MET A 125 4.035 -33.937 -25.816 1.00 0.00 C ATOM 1931 C MET A 125 4.848 -34.616 -26.920 1.00 0.00 C ATOM 1932 O MET A 125 5.435 -33.964 -27.761 1.00 0.00 O ATOM 1933 CB MET A 125 2.542 -34.136 -26.088 1.00 0.00 C ATOM 1934 CG MET A 125 1.738 -33.088 -25.316 1.00 0.00 C ATOM 1935 SD MET A 125 0.356 -33.893 -24.467 1.00 0.00 S ATOM 1936 CE MET A 125 -0.353 -34.713 -25.915 1.00 0.00 C ATOM 0 H MET A 125 3.606 -31.873 -26.145 1.00 0.00 H new ATOM 0 HA MET A 125 4.291 -34.377 -24.852 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.341 -34.049 -27.156 1.00 0.00 H new ATOM 0 HB3 MET A 125 2.237 -35.138 -25.787 1.00 0.00 H new ATOM 0 HG2 MET A 125 2.378 -32.583 -24.593 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.365 -32.325 -25.999 1.00 0.00 H new ATOM 0 HE1 MET A 125 -1.436 -34.766 -25.809 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.104 -34.147 -26.812 1.00 0.00 H new ATOM 0 HE3 MET A 125 0.053 -35.721 -25.998 1.00 0.00 H new ATOM 1946 N LYS A 126 4.889 -35.920 -26.923 1.00 0.00 N ATOM 1947 CA LYS A 126 5.666 -36.637 -27.973 1.00 0.00 C ATOM 1948 C LYS A 126 5.104 -38.050 -28.146 1.00 0.00 C ATOM 1949 O LYS A 126 5.002 -38.491 -29.279 1.00 0.00 O ATOM 1950 CB LYS A 126 7.135 -36.720 -27.554 1.00 0.00 C ATOM 1951 CG LYS A 126 7.910 -35.556 -28.175 1.00 0.00 C ATOM 1952 CD LYS A 126 9.388 -35.932 -28.295 1.00 0.00 C ATOM 1953 CE LYS A 126 10.094 -34.943 -29.225 1.00 0.00 C ATOM 1954 NZ LYS A 126 10.195 -35.530 -30.590 1.00 0.00 N ATOM 1955 OXT LYS A 126 4.787 -38.667 -27.142 1.00 0.00 O ATOM 0 H LYS A 126 4.419 -36.519 -26.245 1.00 0.00 H new ATOM 0 HA LYS A 126 5.588 -36.096 -28.916 1.00 0.00 H new ATOM 0 HB2 LYS A 126 7.217 -36.687 -26.468 1.00 0.00 H new ATOM 0 HB3 LYS A 126 7.563 -37.669 -27.877 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.504 -35.318 -29.158 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.800 -34.663 -27.560 1.00 0.00 H new ATOM 0 HD2 LYS A 126 9.858 -35.921 -27.311 1.00 0.00 H new ATOM 0 HD3 LYS A 126 9.486 -36.946 -28.684 1.00 0.00 H new ATOM 0 HE2 LYS A 126 9.542 -34.004 -29.261 1.00 0.00 H new ATOM 0 HE3 LYS A 126 11.088 -34.713 -28.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 10.675 -34.858 -31.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 10.740 -36.415 -30.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 9.241 -35.728 -30.954 1.00 0.00 H new TER 1969 LYS A 126